NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650358 |
6lms   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lms
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 905
_Distance_constraint_stats_list.Viol_count 1795
_Distance_constraint_stats_list.Viol_total 4448.748
_Distance_constraint_stats_list.Viol_max 1.288
_Distance_constraint_stats_list.Viol_rms 0.0546
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.1239
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.901 0.321 3 0 "[ . 1 . 2]"
1 19 LYS 1.364 0.321 3 0 "[ . 1 . 2]"
1 20 VAL 7.316 0.252 16 0 "[ . 1 . 2]"
1 21 ILE 17.368 0.473 4 0 "[ . 1 . 2]"
1 22 ALA 29.001 0.400 7 0 "[ . 1 . 2]"
1 23 THR 10.492 0.326 16 0 "[ . 1 . 2]"
1 24 LYS 8.271 0.238 7 0 "[ . 1 . 2]"
1 25 VAL 10.824 0.373 8 0 "[ . 1 . 2]"
1 26 LEU 2.922 0.373 8 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 5.767 0.342 1 0 "[ . 1 . 2]"
1 29 VAL 8.832 0.351 7 0 "[ . 1 . 2]"
1 30 LYS 2.123 0.113 15 0 "[ . 1 . 2]"
1 31 TRP 10.520 0.351 7 0 "[ . 1 . 2]"
1 32 PHE 3.131 0.243 8 0 "[ . 1 . 2]"
1 33 ASN 3.075 0.156 18 0 "[ . 1 . 2]"
1 34 VAL 0.246 0.034 15 0 "[ . 1 . 2]"
1 35 ARG 2.125 0.126 3 0 "[ . 1 . 2]"
1 36 ASN 8.193 0.329 6 0 "[ . 1 . 2]"
1 37 GLY 0.596 0.039 13 0 "[ . 1 . 2]"
1 38 TYR 10.747 0.329 6 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 4.756 0.224 16 0 "[ . 1 . 2]"
1 41 ILE 3.509 0.257 8 0 "[ . 1 . 2]"
1 42 ASN 0.816 0.178 4 0 "[ . 1 . 2]"
1 43 ARG 3.374 0.275 15 0 "[ . 1 . 2]"
1 44 ASN 6.415 0.342 1 0 "[ . 1 . 2]"
1 45 ASP 3.960 0.180 11 0 "[ . 1 . 2]"
1 46 THR 8.595 0.300 11 0 "[ . 1 . 2]"
1 47 LYS 0.754 0.122 19 0 "[ . 1 . 2]"
1 48 GLU 3.899 0.423 19 0 "[ . 1 . 2]"
1 49 ASP 2.526 0.423 19 0 "[ . 1 . 2]"
1 50 VAL 7.623 0.378 8 0 "[ . 1 . 2]"
1 51 PHE 9.540 0.378 8 0 "[ . 1 . 2]"
1 52 VAL 7.418 0.449 5 0 "[ . 1 . 2]"
1 53 HIS 7.232 0.449 5 0 "[ . 1 . 2]"
1 54 GLN 2.840 0.232 8 0 "[ . 1 . 2]"
1 55 THR 10.461 0.430 6 0 "[ . 1 . 2]"
1 56 ALA 8.770 0.430 6 0 "[ . 1 . 2]"
1 57 ILE 7.019 0.283 20 0 "[ . 1 . 2]"
1 58 LYS 1.382 0.164 10 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 1.321 0.145 16 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 1.049 0.102 12 0 "[ . 1 . 2]"
1 63 ARG 2.557 0.102 12 0 "[ . 1 . 2]"
1 64 LYS 1.440 0.101 16 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 2.472 0.165 4 0 "[ . 1 . 2]"
1 67 ARG 3.974 0.223 15 0 "[ . 1 . 2]"
1 68 SER 4.220 0.223 15 0 "[ . 1 . 2]"
1 69 VAL 4.942 0.356 20 0 "[ . 1 . 2]"
1 70 GLY 2.088 0.356 20 0 "[ . 1 . 2]"
1 71 ASP 1.100 0.124 16 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 1.807 0.119 18 0 "[ . 1 . 2]"
1 74 THR 2.114 0.081 20 0 "[ . 1 . 2]"
1 75 VAL 0.034 0.021 19 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PHE 4.972 0.210 3 0 "[ . 1 . 2]"
1 78 ASP 13.193 0.400 7 0 "[ . 1 . 2]"
1 79 VAL 8.635 0.286 8 0 "[ . 1 . 2]"
1 80 VAL 10.294 0.321 15 0 "[ . 1 . 2]"
1 81 GLU 2.438 0.198 9 0 "[ . 1 . 2]"
1 82 GLY 2.152 0.142 16 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 5.587 0.343 17 0 "[ . 1 . 2]"
1 85 GLY 8.190 0.512 7 1 "[ . + 1 . 2]"
1 86 ALA 5.140 0.512 7 1 "[ . + 1 . 2]"
1 87 GLU 5.068 0.176 10 0 "[ . 1 . 2]"
1 88 ALA 0.598 0.042 16 0 "[ . 1 . 2]"
1 89 ALA 3.164 0.185 10 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 3.629 0.283 20 0 "[ . 1 . 2]"
1 92 THR 0.101 0.061 7 0 "[ . 1 . 2]"
1 93 GLY 0.086 0.086 14 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 3.109 0.168 16 0 "[ . 1 . 2]"
1 98 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 2.224 0.145 16 0 "[ . 1 . 2]"
1 100 GLN 1.465 0.089 7 0 "[ . 1 . 2]"
1 101 GLY 3.468 0.214 7 0 "[ . 1 . 2]"
1 102 SER 1.203 0.124 16 0 "[ . 1 . 2]"
1 103 LYS 1.645 0.094 15 0 "[ . 1 . 2]"
1 104 TYR 15.639 1.288 3 9 "[ +** 1- *.*** *]"
1 105 ALA 14.967 1.288 3 9 "[ +** 1- *.*** *]"
1 106 ALA 0.207 0.036 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ASP HA 1 18 LYS H 2.900 . 2.900 2.575 2.408 2.785 . 0 0 "[ . 1 . 2]" 1
2 1 17 ASP QB 1 18 LYS H 3.500 . 4.500 3.950 3.901 4.023 . 0 0 "[ . 1 . 2]" 1
3 1 18 LYS H 1 18 LYS QB 2.900 . 3.500 2.515 2.193 3.295 . 0 0 "[ . 1 . 2]" 1
4 1 18 LYS H 1 18 LYS QD 5.000 . 6.000 4.816 4.212 5.313 . 0 0 "[ . 1 . 2]" 1
5 1 18 LYS H 1 18 LYS QE 5.000 . 6.000 5.112 4.504 5.494 . 0 0 "[ . 1 . 2]" 1
6 1 18 LYS H 1 18 LYS QG 2.900 . 3.900 3.534 2.406 3.939 0.039 16 0 "[ . 1 . 2]" 1
7 1 18 LYS H 1 19 LYS H 5.000 . 5.000 4.534 4.195 4.643 . 0 0 "[ . 1 . 2]" 1
8 1 18 LYS HA 1 19 LYS H 2.900 . 2.900 2.490 2.199 2.950 0.050 12 0 "[ . 1 . 2]" 1
9 1 18 LYS HA 1 80 VAL QG 5.000 . 7.400 5.447 4.956 5.572 . 0 0 "[ . 1 . 2]" 1
10 1 18 LYS QB 1 80 VAL QG 3.500 . 6.900 3.490 3.221 4.539 . 0 0 "[ . 1 . 2]" 1
11 1 18 LYS QD 1 19 LYS H 3.500 . 4.500 3.298 2.093 4.136 . 0 0 "[ . 1 . 2]" 1
12 1 18 LYS QD 1 80 VAL QG 2.700 . 6.100 3.432 2.230 4.142 . 0 0 "[ . 1 . 2]" 1
13 1 18 LYS QE 1 19 LYS H 5.000 . 6.000 2.017 1.479 2.818 0.321 3 0 "[ . 1 . 2]" 1
14 1 18 LYS QE 1 21 ILE MG 5.000 . 7.500 5.607 5.433 5.749 . 0 0 "[ . 1 . 2]" 1
15 1 18 LYS QE 1 80 VAL QG 5.000 . 8.400 3.666 1.974 5.008 . 0 0 "[ . 1 . 2]" 1
16 1 18 LYS QG 1 80 VAL QG 5.000 . 8.400 4.095 2.716 4.599 . 0 0 "[ . 1 . 2]" 1
17 1 19 LYS H 1 19 LYS HA 2.900 . 2.900 2.921 2.859 2.984 0.084 3 0 "[ . 1 . 2]" 1
18 1 19 LYS H 1 19 LYS QB 2.900 . 3.500 2.456 2.260 2.639 . 0 0 "[ . 1 . 2]" 1
19 1 19 LYS H 1 19 LYS QE 5.000 . 6.000 4.879 4.546 5.302 . 0 0 "[ . 1 . 2]" 1
20 1 19 LYS H 1 19 LYS QG 3.500 . 4.500 2.732 2.389 4.065 . 0 0 "[ . 1 . 2]" 1
21 1 19 LYS H 1 80 VAL QG 5.000 . 7.400 4.783 4.149 5.100 . 0 0 "[ . 1 . 2]" 1
22 1 19 LYS H 1 81 GLU QB 3.500 . 5.000 3.491 2.105 4.243 . 0 0 "[ . 1 . 2]" 1
23 1 19 LYS HA 1 20 VAL H 2.900 . 2.900 2.175 2.130 2.242 . 0 0 "[ . 1 . 2]" 1
24 1 19 LYS HA 1 20 VAL QG 3.500 . 5.900 3.500 3.338 3.853 . 0 0 "[ . 1 . 2]" 1
25 1 19 LYS QB 1 20 VAL H 2.900 . 3.900 2.946 2.677 3.662 . 0 0 "[ . 1 . 2]" 1
26 1 19 LYS QB 1 21 ILE MG 3.500 . 6.000 3.759 3.564 4.097 . 0 0 "[ . 1 . 2]" 1
27 1 19 LYS QB 1 81 GLU H 2.900 . 3.900 3.438 3.285 3.558 . 0 0 "[ . 1 . 2]" 1
28 1 19 LYS QD 1 20 VAL H 5.000 . 6.000 4.826 2.841 5.396 . 0 0 "[ . 1 . 2]" 1
29 1 19 LYS QD 1 21 ILE MG 5.000 . 7.500 4.617 3.119 5.456 . 0 0 "[ . 1 . 2]" 1
30 1 19 LYS QG 1 20 VAL H 3.500 . 4.500 3.883 2.598 4.267 . 0 0 "[ . 1 . 2]" 1
31 1 19 LYS QG 1 21 ILE MG 5.000 . 7.500 5.404 3.630 5.567 . 0 0 "[ . 1 . 2]" 1
32 1 20 VAL H 1 20 VAL HA 2.900 . 2.900 2.975 2.942 2.983 0.083 15 0 "[ . 1 . 2]" 1
33 1 20 VAL H 1 20 VAL HB 2.900 . 2.900 2.623 2.530 2.997 0.097 16 0 "[ . 1 . 2]" 1
34 1 20 VAL H 1 20 VAL QG 2.900 . 4.600 2.332 1.846 2.512 . 0 0 "[ . 1 . 2]" 1
35 1 20 VAL H 1 21 ILE H 5.000 . 5.000 4.366 4.311 4.489 . 0 0 "[ . 1 . 2]" 1
36 1 20 VAL H 1 80 VAL HA 5.000 . 5.000 4.982 4.932 5.082 0.082 15 0 "[ . 1 . 2]" 1
37 1 20 VAL HA 1 20 VAL QG 2.700 . 4.400 2.124 2.094 2.247 . 0 0 "[ . 1 . 2]" 1
38 1 20 VAL HA 1 21 ILE H 2.900 . 2.900 2.153 2.144 2.168 . 0 0 "[ . 1 . 2]" 1
39 1 20 VAL HA 1 22 ALA H 3.500 . 3.500 3.698 3.669 3.752 0.252 16 0 "[ . 1 . 2]" 1
40 1 20 VAL HA 1 80 VAL QG 5.000 . 7.400 2.304 2.200 2.507 . 0 0 "[ . 1 . 2]" 1
41 1 20 VAL HA 1 81 GLU H 3.500 . 3.500 3.572 3.473 3.698 0.198 9 0 "[ . 1 . 2]" 1
42 1 20 VAL QG 1 21 ILE H 2.900 . 5.300 2.710 2.536 2.765 . 0 0 "[ . 1 . 2]" 1
43 1 20 VAL QG 1 22 ALA H 2.900 . 5.300 2.438 2.314 2.564 . 0 0 "[ . 1 . 2]" 1
44 1 20 VAL QG 1 22 ALA HA 5.000 . 7.400 3.446 3.415 3.488 . 0 0 "[ . 1 . 2]" 1
45 1 20 VAL QG 1 23 THR H 5.000 . 7.400 3.946 3.875 4.016 . 0 0 "[ . 1 . 2]" 1
46 1 20 VAL QG 1 23 THR HB 5.000 . 7.400 4.597 3.658 4.943 . 0 0 "[ . 1 . 2]" 1
47 1 20 VAL QG 1 79 VAL H 2.900 . 5.300 3.299 3.173 3.520 . 0 0 "[ . 1 . 2]" 1
48 1 21 ILE H 1 21 ILE HB 2.900 . 2.900 3.349 3.328 3.373 0.473 4 0 "[ . 1 . 2]" 1
49 1 21 ILE H 1 21 ILE MD 5.000 . 6.500 3.488 3.464 3.545 . 0 0 "[ . 1 . 2]" 1
50 1 21 ILE H 1 21 ILE HG12 3.500 . 3.500 1.904 1.845 2.002 . 0 0 "[ . 1 . 2]" 1
51 1 21 ILE H 1 21 ILE MG 3.500 . 5.000 3.374 3.299 3.422 . 0 0 "[ . 1 . 2]" 1
52 1 21 ILE H 1 22 ALA H 2.900 . 2.900 2.156 2.014 2.216 . 0 0 "[ . 1 . 2]" 1
53 1 21 ILE H 1 79 VAL H 5.000 . 5.000 4.611 4.422 4.700 . 0 0 "[ . 1 . 2]" 1
54 1 21 ILE H 1 79 VAL HB 5.000 . 5.000 3.879 3.768 3.936 . 0 0 "[ . 1 . 2]" 1
55 1 21 ILE H 1 79 VAL QG 3.500 . 5.900 3.671 3.635 3.698 . 0 0 "[ . 1 . 2]" 1
56 1 21 ILE H 1 80 VAL HA 2.900 . 2.900 2.158 2.102 2.252 . 0 0 "[ . 1 . 2]" 1
57 1 21 ILE H 1 80 VAL HB 5.000 . 5.000 4.452 4.379 4.558 . 0 0 "[ . 1 . 2]" 1
58 1 21 ILE H 1 81 GLU H 5.000 . 5.000 3.677 3.558 3.922 . 0 0 "[ . 1 . 2]" 1
59 1 21 ILE HA 1 22 ALA H 3.500 . 3.500 3.562 3.552 3.568 0.068 17 0 "[ . 1 . 2]" 1
60 1 21 ILE HB 1 22 ALA H 2.900 . 2.900 3.189 3.149 3.227 0.327 12 0 "[ . 1 . 2]" 1
61 1 21 ILE HB 1 79 VAL QG 3.500 . 5.900 2.949 2.835 3.079 . 0 0 "[ . 1 . 2]" 1
62 1 21 ILE MD 1 22 ALA H 5.000 . 6.500 4.120 4.068 4.160 . 0 0 "[ . 1 . 2]" 1
63 1 21 ILE MD 1 79 VAL HB 5.000 . 6.500 3.777 3.689 3.871 . 0 0 "[ . 1 . 2]" 1
64 1 21 ILE MD 1 79 VAL QG 2.700 . 6.600 1.935 1.881 2.011 . 0 0 "[ . 1 . 2]" 1
65 1 21 ILE MD 1 80 VAL H 5.000 . 6.500 3.592 3.481 3.661 . 0 0 "[ . 1 . 2]" 1
66 1 21 ILE MD 1 80 VAL HA 5.000 . 6.500 3.496 3.433 3.626 . 0 0 "[ . 1 . 2]" 1
67 1 21 ILE MD 1 80 VAL QG 2.700 . 6.600 3.953 3.890 3.983 . 0 0 "[ . 1 . 2]" 1
68 1 21 ILE MD 1 81 GLU H 3.500 . 5.000 3.428 3.350 3.483 . 0 0 "[ . 1 . 2]" 1
69 1 21 ILE MD 1 81 GLU HA 3.500 . 5.000 2.180 1.981 2.341 . 0 0 "[ . 1 . 2]" 1
70 1 21 ILE MD 1 81 GLU QG 3.500 . 6.000 2.538 2.116 3.422 . 0 0 "[ . 1 . 2]" 1
71 1 21 ILE MD 1 82 GLY H 5.000 . 6.500 3.705 3.381 3.848 . 0 0 "[ . 1 . 2]" 1
72 1 21 ILE MD 1 86 ALA HA 5.000 . 6.500 2.242 2.119 2.343 . 0 0 "[ . 1 . 2]" 1
73 1 21 ILE MD 1 86 ALA MB 2.700 . 5.700 2.340 2.131 2.596 . 0 0 "[ . 1 . 2]" 1
74 1 21 ILE MD 1 87 GLU H 5.000 . 6.500 2.922 2.781 3.006 . 0 0 "[ . 1 . 2]" 1
75 1 21 ILE QG 1 79 VAL QG 5.000 . 8.400 2.075 2.062 2.091 . 0 0 "[ . 1 . 2]" 1
76 1 21 ILE HG12 1 22 ALA H 3.500 . 3.500 3.569 3.528 3.600 0.100 13 0 "[ . 1 . 2]" 1
77 1 21 ILE HG12 1 81 GLU H 5.000 . 5.000 2.751 2.642 2.908 . 0 0 "[ . 1 . 2]" 1
78 1 21 ILE MG 1 22 ALA H 3.500 . 5.000 4.222 4.209 4.228 . 0 0 "[ . 1 . 2]" 1
79 1 21 ILE MG 1 22 ALA MB 3.500 . 6.500 4.420 4.388 4.461 . 0 0 "[ . 1 . 2]" 1
80 1 21 ILE MG 1 79 VAL QG 2.700 . 6.600 3.758 3.704 3.820 . 0 0 "[ . 1 . 2]" 1
81 1 21 ILE MG 1 81 GLU H 5.000 . 6.500 4.198 4.063 4.391 . 0 0 "[ . 1 . 2]" 1
82 1 21 ILE MG 1 81 GLU QB 5.000 . 7.500 3.893 3.005 4.419 . 0 0 "[ . 1 . 2]" 1
83 1 22 ALA H 1 22 ALA HA 2.900 . 2.900 2.950 2.946 2.955 0.055 7 0 "[ . 1 . 2]" 1
84 1 22 ALA H 1 22 ALA MB 2.900 . 4.000 2.725 2.707 2.740 . 0 0 "[ . 1 . 2]" 1
85 1 22 ALA H 1 23 THR H 5.000 . 5.000 4.376 4.361 4.389 . 0 0 "[ . 1 . 2]" 1
86 1 22 ALA H 1 25 VAL QG 5.000 . 7.400 5.073 4.888 5.195 . 0 0 "[ . 1 . 2]" 1
87 1 22 ALA H 1 78 ASP HA 5.000 . 5.000 5.355 5.320 5.400 0.400 7 0 "[ . 1 . 2]" 1
88 1 22 ALA H 1 79 VAL H 2.900 . 2.900 3.134 3.089 3.186 0.286 8 0 "[ . 1 . 2]" 1
89 1 22 ALA H 1 79 VAL HB 2.900 . 2.900 2.390 2.353 2.444 . 0 0 "[ . 1 . 2]" 1
90 1 22 ALA H 1 79 VAL QG 2.900 . 5.300 3.264 3.244 3.309 . 0 0 "[ . 1 . 2]" 1
91 1 22 ALA H 1 80 VAL HA 3.500 . 3.500 3.694 3.649 3.730 0.230 16 0 "[ . 1 . 2]" 1
92 1 22 ALA HA 1 23 THR H 2.900 . 2.900 2.288 2.269 2.306 . 0 0 "[ . 1 . 2]" 1
93 1 22 ALA HA 1 23 THR MG 5.000 . 6.500 4.806 4.071 5.067 . 0 0 "[ . 1 . 2]" 1
94 1 22 ALA HA 1 25 VAL QG 5.000 . 7.400 4.210 4.084 4.301 . 0 0 "[ . 1 . 2]" 1
95 1 22 ALA MB 1 23 THR H 2.900 . 4.400 2.727 2.695 2.769 . 0 0 "[ . 1 . 2]" 1
96 1 22 ALA MB 1 25 VAL H 5.000 . 6.500 4.717 4.634 4.814 . 0 0 "[ . 1 . 2]" 1
97 1 22 ALA MB 1 25 VAL QG 2.700 . 6.600 2.429 2.053 2.575 . 0 0 "[ . 1 . 2]" 1
98 1 22 ALA MB 1 79 VAL H 2.900 . 4.400 2.973 2.838 3.041 . 0 0 "[ . 1 . 2]" 1
99 1 22 ALA MB 1 79 VAL HB 2.700 . 4.200 1.997 1.965 2.022 . 0 0 "[ . 1 . 2]" 1
100 1 22 ALA MB 1 79 VAL QG 2.700 . 6.600 2.127 2.076 2.176 . 0 0 "[ . 1 . 2]" 1
101 1 23 THR H 1 23 THR HA 2.900 . 2.900 2.955 2.953 2.958 0.058 19 0 "[ . 1 . 2]" 1
102 1 23 THR H 1 23 THR HB 2.900 . 2.900 2.973 2.700 3.072 0.172 7 0 "[ . 1 . 2]" 1
103 1 23 THR H 1 23 THR MG 2.900 . 4.400 3.322 2.117 3.733 . 0 0 "[ . 1 . 2]" 1
104 1 23 THR H 1 24 LYS H 5.000 . 5.000 4.419 4.409 4.428 . 0 0 "[ . 1 . 2]" 1
105 1 23 THR H 1 25 VAL QG 3.500 . 5.900 3.255 3.081 3.424 . 0 0 "[ . 1 . 2]" 1
106 1 23 THR HA 1 24 LYS H 2.900 . 2.900 2.652 2.635 2.670 . 0 0 "[ . 1 . 2]" 1
107 1 23 THR HA 1 25 VAL H 5.000 . 5.000 5.287 5.227 5.326 0.326 16 0 "[ . 1 . 2]" 1
108 1 23 THR HA 1 25 VAL QG 5.000 . 7.400 4.305 4.207 4.420 . 0 0 "[ . 1 . 2]" 1
109 1 23 THR HA 1 79 VAL H 3.500 . 3.500 3.423 3.396 3.477 . 0 0 "[ . 1 . 2]" 1
110 1 23 THR HB 1 24 LYS H 3.500 . 3.500 2.640 2.322 3.555 0.055 9 0 "[ . 1 . 2]" 1
111 1 23 THR MG 1 24 LYS H 2.900 . 4.400 1.938 1.685 2.553 0.115 14 0 "[ . 1 . 2]" 1
112 1 23 THR MG 1 24 LYS QB 5.000 . 7.500 3.547 3.084 3.889 . 0 0 "[ . 1 . 2]" 1
113 1 23 THR MG 1 24 LYS QE 5.000 . 7.500 3.997 3.533 5.335 . 0 0 "[ . 1 . 2]" 1
114 1 23 THR MG 1 24 LYS QG 5.000 . 7.500 2.908 2.409 4.079 . 0 0 "[ . 1 . 2]" 1
115 1 23 THR MG 1 78 ASP HA 5.000 . 6.500 4.475 4.276 4.847 . 0 0 "[ . 1 . 2]" 1
116 1 24 LYS H 1 24 LYS HA 2.900 . 2.900 2.744 2.699 2.779 . 0 0 "[ . 1 . 2]" 1
117 1 24 LYS H 1 24 LYS QB 3.500 . 4.100 2.579 2.460 2.732 . 0 0 "[ . 1 . 2]" 1
118 1 24 LYS H 1 24 LYS QD 5.000 . 6.000 4.037 3.687 4.303 . 0 0 "[ . 1 . 2]" 1
119 1 24 LYS H 1 24 LYS QG 2.900 . 3.900 2.125 1.902 2.274 . 0 0 "[ . 1 . 2]" 1
120 1 24 LYS H 1 25 VAL QG 5.000 . 7.400 4.275 4.161 4.508 . 0 0 "[ . 1 . 2]" 1
121 1 24 LYS H 1 78 ASP HA 3.500 . 3.500 3.688 3.661 3.738 0.238 7 0 "[ . 1 . 2]" 1
122 1 24 LYS H 1 79 VAL H 5.000 . 5.000 5.157 5.115 5.199 0.199 4 0 "[ . 1 . 2]" 1
123 1 24 LYS HA 1 25 VAL H 2.900 . 2.900 2.118 2.089 2.139 . 0 0 "[ . 1 . 2]" 1
124 1 24 LYS HA 1 25 VAL QG 5.000 . 7.400 3.472 3.395 3.917 . 0 0 "[ . 1 . 2]" 1
125 1 24 LYS HA 1 77 PHE H 3.500 . 3.500 3.467 3.321 3.539 0.039 7 0 "[ . 1 . 2]" 1
126 1 24 LYS QB 1 25 VAL H 5.000 . 6.000 3.530 3.466 3.576 . 0 0 "[ . 1 . 2]" 1
127 1 24 LYS QG 1 25 VAL H 5.000 . 6.000 4.295 4.147 4.534 . 0 0 "[ . 1 . 2]" 1
128 1 25 VAL H 1 25 VAL HA 2.900 . 2.900 2.984 2.980 2.990 0.090 8 0 "[ . 1 . 2]" 1
129 1 25 VAL H 1 25 VAL QG 2.900 . 4.600 2.057 1.964 2.749 . 0 0 "[ . 1 . 2]" 1
130 1 25 VAL H 1 26 LEU H 5.000 . 5.000 4.465 4.433 4.473 . 0 0 "[ . 1 . 2]" 1
131 1 25 VAL H 1 76 GLU HA 5.000 . 5.000 4.324 4.258 4.425 . 0 0 "[ . 1 . 2]" 1
132 1 25 VAL H 1 76 GLU QG 5.000 . 6.000 4.056 3.474 5.210 . 0 0 "[ . 1 . 2]" 1
133 1 25 VAL H 1 77 PHE H 2.900 . 2.900 2.595 2.471 2.724 . 0 0 "[ . 1 . 2]" 1
134 1 25 VAL H 1 77 PHE QD 5.000 . 7.000 4.480 4.338 4.547 . 0 0 "[ . 1 . 2]" 1
135 1 25 VAL H 1 78 ASP HA 3.500 . 3.500 3.322 2.980 3.455 . 0 0 "[ . 1 . 2]" 1
136 1 25 VAL HA 1 26 LEU H 2.900 . 2.900 2.405 2.228 2.452 . 0 0 "[ . 1 . 2]" 1
137 1 25 VAL HB 1 26 LEU H 3.500 . 3.500 2.428 2.271 3.873 0.373 8 0 "[ . 1 . 2]" 1
138 1 25 VAL HB 1 77 PHE H 5.000 . 5.000 5.110 4.164 5.210 0.210 3 0 "[ . 1 . 2]" 1
139 1 25 VAL HB 1 79 VAL QG 5.000 . 7.400 4.537 2.977 4.857 . 0 0 "[ . 1 . 2]" 1
140 1 25 VAL QG 1 26 LEU H 2.900 . 5.300 3.077 2.119 3.168 . 0 0 "[ . 1 . 2]" 1
141 1 25 VAL QG 1 43 ARG QB 5.000 . 8.400 3.182 2.569 3.773 . 0 0 "[ . 1 . 2]" 1
142 1 25 VAL QG 1 43 ARG QD 5.000 . 8.400 2.948 2.011 3.661 . 0 0 "[ . 1 . 2]" 1
143 1 25 VAL QG 1 43 ARG QG 3.500 . 6.900 2.577 2.062 4.331 . 0 0 "[ . 1 . 2]" 1
144 1 25 VAL QG 1 44 ASN H 3.500 . 5.900 4.270 3.551 4.436 . 0 0 "[ . 1 . 2]" 1
145 1 25 VAL QG 1 77 PHE H 3.500 . 5.900 3.233 3.095 4.345 . 0 0 "[ . 1 . 2]" 1
146 1 25 VAL QG 1 77 PHE QD 5.000 . 9.400 3.490 3.227 4.472 . 0 0 "[ . 1 . 2]" 1
147 1 25 VAL QG 1 77 PHE QE 5.000 . 9.400 3.159 2.868 3.902 . 0 0 "[ . 1 . 2]" 1
148 1 25 VAL QG 1 77 PHE HZ 5.000 . 7.400 3.455 3.138 4.046 . 0 0 "[ . 1 . 2]" 1
149 1 25 VAL QG 1 78 ASP HA 5.000 . 7.400 3.424 3.123 3.821 . 0 0 "[ . 1 . 2]" 1
150 1 25 VAL QG 1 79 VAL H 3.500 . 5.900 3.834 3.661 3.920 . 0 0 "[ . 1 . 2]" 1
151 1 25 VAL QG 1 79 VAL HB 5.000 . 7.400 4.015 3.773 4.194 . 0 0 "[ . 1 . 2]" 1
152 1 25 VAL QG 1 79 VAL QG 2.700 . 7.500 2.257 2.150 2.412 . 0 0 "[ . 1 . 2]" 1
153 1 26 LEU H 1 26 LEU HA 2.900 . 2.900 2.970 2.956 2.975 0.075 13 0 "[ . 1 . 2]" 1
154 1 26 LEU H 1 26 LEU QB 2.900 . 3.500 2.561 2.540 2.572 . 0 0 "[ . 1 . 2]" 1
155 1 26 LEU H 1 26 LEU QD 3.500 . 5.200 3.238 3.183 3.275 . 0 0 "[ . 1 . 2]" 1
156 1 26 LEU H 1 26 LEU HG 2.900 . 2.900 2.603 2.494 2.655 . 0 0 "[ . 1 . 2]" 1
157 1 26 LEU H 1 27 GLY H 5.000 . 5.000 4.521 4.480 4.558 . 0 0 "[ . 1 . 2]" 1
158 1 26 LEU HA 1 27 GLY H 2.900 . 2.900 2.211 2.188 2.244 . 0 0 "[ . 1 . 2]" 1
159 1 26 LEU HA 1 75 VAL H 5.000 . 5.000 4.422 4.356 4.559 . 0 0 "[ . 1 . 2]" 1
160 1 26 LEU HA 1 77 PHE H 3.500 . 3.500 3.557 3.506 3.609 0.109 1 0 "[ . 1 . 2]" 1
161 1 26 LEU QB 1 27 GLY H 3.500 . 4.500 2.942 2.852 3.023 . 0 0 "[ . 1 . 2]" 1
162 1 26 LEU QD 1 27 GLY H 3.500 . 5.900 3.478 3.414 3.515 . 0 0 "[ . 1 . 2]" 1
163 1 26 LEU QD 1 74 THR MG 2.700 . 6.600 2.592 2.430 2.808 . 0 0 "[ . 1 . 2]" 1
164 1 26 LEU QD 1 75 VAL H 5.000 . 7.400 4.326 4.215 4.458 . 0 0 "[ . 1 . 2]" 1
165 1 26 LEU QD 1 76 GLU HA 5.000 . 7.400 2.285 2.219 2.396 . 0 0 "[ . 1 . 2]" 1
166 1 26 LEU QD 1 76 GLU QB 5.000 . 8.400 2.066 1.897 2.154 . 0 0 "[ . 1 . 2]" 1
167 1 26 LEU QD 1 76 GLU QG 5.000 . 8.400 2.533 1.965 3.677 . 0 0 "[ . 1 . 2]" 1
168 1 26 LEU QD 1 77 PHE H 3.500 . 5.900 3.711 3.627 3.766 . 0 0 "[ . 1 . 2]" 1
169 1 26 LEU QD 1 94 PRO HA 5.000 . 7.400 3.385 3.233 3.485 . 0 0 "[ . 1 . 2]" 1
170 1 26 LEU QD 1 94 PRO QB 5.000 . 8.400 3.056 2.836 3.552 . 0 0 "[ . 1 . 2]" 1
171 1 26 LEU QD 1 95 GLY H 5.000 . 7.400 4.261 4.048 4.492 . 0 0 "[ . 1 . 2]" 1
172 1 27 GLY H 1 28 THR H 5.000 . 5.000 4.391 4.368 4.401 . 0 0 "[ . 1 . 2]" 1
173 1 27 GLY H 1 41 ILE MG 3.500 . 5.000 3.910 3.786 4.060 . 0 0 "[ . 1 . 2]" 1
174 1 27 GLY H 1 44 ASN H 5.000 . 5.000 4.400 4.285 4.710 . 0 0 "[ . 1 . 2]" 1
175 1 27 GLY H 1 74 THR HA 5.000 . 5.000 4.194 4.082 4.362 . 0 0 "[ . 1 . 2]" 1
176 1 27 GLY H 1 74 THR MG 3.500 . 5.000 2.982 2.830 3.176 . 0 0 "[ . 1 . 2]" 1
177 1 27 GLY H 1 75 VAL H 2.900 . 2.900 2.780 2.686 2.863 . 0 0 "[ . 1 . 2]" 1
178 1 27 GLY H 1 75 VAL QG 3.500 . 5.900 3.191 3.062 3.347 . 0 0 "[ . 1 . 2]" 1
179 1 27 GLY H 1 76 GLU HA 5.000 . 5.000 3.556 3.349 3.733 . 0 0 "[ . 1 . 2]" 1
180 1 27 GLY H 1 77 PHE QD 5.000 . 7.000 3.773 3.648 3.872 . 0 0 "[ . 1 . 2]" 1
181 1 27 GLY H 1 77 PHE QE 2.900 . 4.900 3.020 2.919 3.124 . 0 0 "[ . 1 . 2]" 1
182 1 27 GLY QA 1 28 THR H 2.900 . 3.900 2.229 2.209 2.255 . 0 0 "[ . 1 . 2]" 1
183 1 27 GLY QA 1 41 ILE MG 3.500 . 6.000 2.379 2.212 2.565 . 0 0 "[ . 1 . 2]" 1
184 1 27 GLY QA 1 44 ASN H 2.900 . 3.900 1.952 1.879 2.084 . 0 0 "[ . 1 . 2]" 1
185 1 27 GLY QA 1 75 VAL QG 5.000 . 8.400 3.735 3.577 3.945 . 0 0 "[ . 1 . 2]" 1
186 1 28 THR H 1 28 THR HB 2.900 . 2.900 2.577 2.563 2.607 . 0 0 "[ . 1 . 2]" 1
187 1 28 THR H 1 28 THR MG 3.500 . 5.000 3.839 3.833 3.851 . 0 0 "[ . 1 . 2]" 1
188 1 28 THR H 1 41 ILE MG 2.900 . 4.400 3.032 2.911 3.132 . 0 0 "[ . 1 . 2]" 1
189 1 28 THR H 1 42 ASN H 3.500 . 3.500 3.440 3.308 3.560 0.060 4 0 "[ . 1 . 2]" 1
190 1 28 THR H 1 42 ASN QB 5.000 . 6.000 3.386 3.153 3.617 . 0 0 "[ . 1 . 2]" 1
191 1 28 THR H 1 43 ARG HA 5.000 . 5.000 3.738 3.507 3.951 . 0 0 "[ . 1 . 2]" 1
192 1 28 THR H 1 44 ASN H 3.500 . 3.500 3.780 3.716 3.842 0.342 1 0 "[ . 1 . 2]" 1
193 1 28 THR HA 1 29 VAL H 2.900 . 2.900 2.182 2.170 2.195 . 0 0 "[ . 1 . 2]" 1
194 1 28 THR HA 1 29 VAL QG 5.000 . 7.400 3.557 3.520 3.609 . 0 0 "[ . 1 . 2]" 1
195 1 28 THR HA 1 74 THR MG 5.000 . 6.500 3.555 3.477 3.633 . 0 0 "[ . 1 . 2]" 1
196 1 28 THR HA 1 75 VAL H 3.500 . 3.500 3.416 3.261 3.521 0.021 19 0 "[ . 1 . 2]" 1
197 1 28 THR HA 1 75 VAL QG 5.000 . 7.400 3.705 3.528 3.811 . 0 0 "[ . 1 . 2]" 1
198 1 28 THR HB 1 29 VAL H 5.000 . 5.000 4.152 4.126 4.174 . 0 0 "[ . 1 . 2]" 1
199 1 28 THR MG 1 29 VAL H 2.900 . 4.400 2.553 2.515 2.587 . 0 0 "[ . 1 . 2]" 1
200 1 28 THR MG 1 29 VAL HB 5.000 . 6.500 3.924 3.788 4.016 . 0 0 "[ . 1 . 2]" 1
201 1 28 THR MG 1 72 GLY H 3.500 . 5.000 3.442 3.074 3.847 . 0 0 "[ . 1 . 2]" 1
202 1 28 THR MG 1 72 GLY QA 2.700 . 5.200 2.572 2.327 2.705 . 0 0 "[ . 1 . 2]" 1
203 1 28 THR MG 1 73 GLU H 3.500 . 5.000 3.802 3.572 4.055 . 0 0 "[ . 1 . 2]" 1
204 1 28 THR MG 1 74 THR HA 5.000 . 6.500 3.512 3.324 3.651 . 0 0 "[ . 1 . 2]" 1
205 1 29 VAL H 1 29 VAL HB 2.900 . 2.900 2.538 2.510 2.564 . 0 0 "[ . 1 . 2]" 1
206 1 29 VAL H 1 29 VAL QG 2.900 . 4.600 2.115 2.066 2.165 . 0 0 "[ . 1 . 2]" 1
207 1 29 VAL H 1 30 LYS H 5.000 . 5.000 4.400 4.293 4.487 . 0 0 "[ . 1 . 2]" 1
208 1 29 VAL H 1 41 ILE MG 5.000 . 6.500 3.523 3.379 3.668 . 0 0 "[ . 1 . 2]" 1
209 1 29 VAL H 1 72 GLY H 5.000 . 5.000 3.676 3.588 3.745 . 0 0 "[ . 1 . 2]" 1
210 1 29 VAL H 1 73 GLU H 3.500 . 3.500 3.503 3.417 3.576 0.076 11 0 "[ . 1 . 2]" 1
211 1 29 VAL H 1 74 THR HA 3.500 . 3.500 3.537 3.508 3.577 0.077 11 0 "[ . 1 . 2]" 1
212 1 29 VAL H 1 75 VAL H 5.000 . 5.000 4.278 4.206 4.363 . 0 0 "[ . 1 . 2]" 1
213 1 29 VAL H 1 75 VAL QG 5.000 . 7.400 3.490 3.352 3.601 . 0 0 "[ . 1 . 2]" 1
214 1 29 VAL HA 1 30 LYS H 2.900 . 2.900 2.167 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
215 1 29 VAL HA 1 31 TRP H 3.500 . 3.500 3.738 3.658 3.851 0.351 7 0 "[ . 1 . 2]" 1
216 1 29 VAL HA 1 41 ILE H 5.000 . 5.000 4.954 4.858 5.049 0.049 11 0 "[ . 1 . 2]" 1
217 1 29 VAL HA 1 41 ILE MG 3.500 . 5.000 2.562 2.382 2.766 . 0 0 "[ . 1 . 2]" 1
218 1 29 VAL HA 1 42 ASN H 3.500 . 3.500 3.324 3.191 3.462 . 0 0 "[ . 1 . 2]" 1
219 1 29 VAL HB 1 72 GLY H 2.900 . 2.900 2.424 1.909 2.767 . 0 0 "[ . 1 . 2]" 1
220 1 29 VAL HB 1 73 GLU H 2.900 . 2.900 2.787 2.492 2.953 0.053 11 0 "[ . 1 . 2]" 1
221 1 29 VAL QG 1 30 LYS H 2.900 . 5.300 2.932 2.798 3.100 . 0 0 "[ . 1 . 2]" 1
222 1 29 VAL QG 1 31 TRP H 2.900 . 5.300 2.555 2.259 2.804 . 0 0 "[ . 1 . 2]" 1
223 1 29 VAL QG 1 32 PHE H 3.500 . 5.900 3.606 3.437 3.712 . 0 0 "[ . 1 . 2]" 1
224 1 29 VAL QG 1 32 PHE QB 5.000 . 8.400 2.146 1.912 2.637 . 0 0 "[ . 1 . 2]" 1
225 1 29 VAL QG 1 32 PHE QD 5.000 . 9.400 3.181 2.923 3.557 . 0 0 "[ . 1 . 2]" 1
226 1 29 VAL QG 1 32 PHE QE 5.000 . 9.400 4.679 4.426 5.130 . 0 0 "[ . 1 . 2]" 1
227 1 29 VAL QG 1 40 PHE H 5.000 . 7.400 3.637 3.369 3.839 . 0 0 "[ . 1 . 2]" 1
228 1 29 VAL QG 1 41 ILE HA 5.000 . 7.400 3.153 3.083 3.229 . 0 0 "[ . 1 . 2]" 1
229 1 29 VAL QG 1 41 ILE MD 3.500 . 7.400 2.439 2.128 2.682 . 0 0 "[ . 1 . 2]" 1
230 1 29 VAL QG 1 41 ILE QG 3.500 . 6.900 1.692 1.543 1.796 0.257 8 0 "[ . 1 . 2]" 1
231 1 29 VAL QG 1 41 ILE MG 3.500 . 7.400 2.683 2.564 2.798 . 0 0 "[ . 1 . 2]" 1
232 1 29 VAL QG 1 42 ASN H 5.000 . 7.400 4.342 4.269 4.436 . 0 0 "[ . 1 . 2]" 1
233 1 29 VAL QG 1 69 VAL HA 5.000 . 7.400 4.679 4.425 4.955 . 0 0 "[ . 1 . 2]" 1
234 1 29 VAL QG 1 69 VAL HB 5.000 . 7.400 3.113 2.647 3.952 . 0 0 "[ . 1 . 2]" 1
235 1 29 VAL QG 1 69 VAL QG 2.700 . 7.500 1.837 1.705 2.005 0.095 2 0 "[ . 1 . 2]" 1
236 1 29 VAL QG 1 71 ASP H 3.500 . 5.900 4.351 4.210 4.463 . 0 0 "[ . 1 . 2]" 1
237 1 29 VAL QG 1 71 ASP HA 2.700 . 5.100 2.522 2.386 2.665 . 0 0 "[ . 1 . 2]" 1
238 1 29 VAL QG 1 72 GLY H 2.900 . 5.300 3.109 2.738 3.407 . 0 0 "[ . 1 . 2]" 1
239 1 29 VAL QG 1 73 GLU H 2.900 . 5.300 3.436 3.034 3.609 . 0 0 "[ . 1 . 2]" 1
240 1 29 VAL QG 1 73 GLU QB 5.000 . 8.400 3.284 2.761 3.655 . 0 0 "[ . 1 . 2]" 1
241 1 29 VAL QG 1 73 GLU QG 5.000 . 8.400 4.540 4.012 4.784 . 0 0 "[ . 1 . 2]" 1
242 1 29 VAL QG 1 75 VAL QG 2.700 . 7.500 2.221 2.115 2.433 . 0 0 "[ . 1 . 2]" 1
243 1 30 LYS H 1 30 LYS QB 2.900 . 3.500 2.370 2.309 2.463 . 0 0 "[ . 1 . 2]" 1
244 1 30 LYS H 1 30 LYS QD 5.000 . 6.000 4.214 3.780 4.516 . 0 0 "[ . 1 . 2]" 1
245 1 30 LYS H 1 30 LYS QG 3.500 . 4.500 3.503 2.392 4.103 . 0 0 "[ . 1 . 2]" 1
246 1 30 LYS H 1 31 TRP H 2.900 . 2.900 2.447 2.181 2.557 . 0 0 "[ . 1 . 2]" 1
247 1 30 LYS H 1 40 PHE H 5.000 . 5.000 4.649 4.433 4.947 . 0 0 "[ . 1 . 2]" 1
248 1 30 LYS H 1 41 ILE H 5.000 . 5.000 4.910 4.613 5.053 0.053 3 0 "[ . 1 . 2]" 1
249 1 30 LYS H 1 41 ILE HA 2.900 . 2.900 2.448 2.128 2.610 . 0 0 "[ . 1 . 2]" 1
250 1 30 LYS H 1 41 ILE HG12 5.000 . 5.000 4.105 3.706 4.364 . 0 0 "[ . 1 . 2]" 1
251 1 30 LYS H 1 41 ILE MG 5.000 . 6.500 3.810 3.608 3.918 . 0 0 "[ . 1 . 2]" 1
252 1 30 LYS H 1 42 ASN H 3.500 . 3.500 2.987 2.820 3.250 . 0 0 "[ . 1 . 2]" 1
253 1 30 LYS HA 1 31 TRP H 3.500 . 3.500 3.593 3.558 3.613 0.113 15 0 "[ . 1 . 2]" 1
254 1 30 LYS QB 1 31 TRP H 2.900 . 3.900 2.491 2.417 2.613 . 0 0 "[ . 1 . 2]" 1
255 1 30 LYS QD 1 31 TRP H 5.000 . 6.000 4.706 4.483 5.040 . 0 0 "[ . 1 . 2]" 1
256 1 30 LYS QD 1 31 TRP HE1 5.000 . 6.000 4.347 3.229 5.447 . 0 0 "[ . 1 . 2]" 1
257 1 30 LYS QE 1 31 TRP HE1 5.000 . 6.000 3.561 1.984 5.434 . 0 0 "[ . 1 . 2]" 1
258 1 30 LYS QG 1 31 TRP H 3.500 . 4.500 3.827 3.630 4.159 . 0 0 "[ . 1 . 2]" 1
259 1 30 LYS QG 1 31 TRP HE1 5.000 . 6.000 3.929 2.773 5.437 . 0 0 "[ . 1 . 2]" 1
260 1 31 TRP H 1 31 TRP HD1 5.000 . 5.000 3.897 2.632 5.060 0.060 11 0 "[ . 1 . 2]" 1
261 1 31 TRP H 1 32 PHE H 5.000 . 5.000 4.300 4.235 4.336 . 0 0 "[ . 1 . 2]" 1
262 1 31 TRP H 1 40 PHE H 2.900 . 2.900 3.088 3.049 3.124 0.224 16 0 "[ . 1 . 2]" 1
263 1 31 TRP H 1 41 ILE HA 5.000 . 5.000 4.077 3.879 4.265 . 0 0 "[ . 1 . 2]" 1
264 1 31 TRP HA 1 32 PHE H 2.900 . 2.900 2.243 2.178 2.340 . 0 0 "[ . 1 . 2]" 1
265 1 31 TRP QB 1 32 PHE H 2.900 . 3.900 2.748 2.429 2.992 . 0 0 "[ . 1 . 2]" 1
266 1 32 PHE H 1 32 PHE QB 3.500 . 4.100 2.776 2.706 2.843 . 0 0 "[ . 1 . 2]" 1
267 1 32 PHE H 1 32 PHE QD 5.000 . 7.000 4.438 4.408 4.470 . 0 0 "[ . 1 . 2]" 1
268 1 32 PHE H 1 33 ASN H 5.000 . 5.000 4.053 3.936 4.119 . 0 0 "[ . 1 . 2]" 1
269 1 32 PHE H 1 33 ASN QB 5.000 . 6.000 5.227 4.581 5.524 . 0 0 "[ . 1 . 2]" 1
270 1 32 PHE H 1 69 VAL QG 5.000 . 7.400 4.941 4.591 5.587 . 0 0 "[ . 1 . 2]" 1
271 1 32 PHE HA 1 33 ASN H 2.900 . 2.900 2.175 2.159 2.194 . 0 0 "[ . 1 . 2]" 1
272 1 32 PHE HA 1 38 TYR H 5.000 . 5.000 5.143 5.072 5.243 0.243 8 0 "[ . 1 . 2]" 1
273 1 32 PHE HA 1 40 PHE H 3.500 . 3.500 3.446 3.353 3.536 0.036 1 0 "[ . 1 . 2]" 1
274 1 32 PHE QB 1 33 ASN H 5.000 . 6.000 3.833 3.790 3.870 . 0 0 "[ . 1 . 2]" 1
275 1 32 PHE QD 1 33 ASN H 5.000 . 7.000 3.663 3.496 3.780 . 0 0 "[ . 1 . 2]" 1
276 1 32 PHE QD 1 34 VAL HA 5.000 . 7.000 3.324 2.977 3.763 . 0 0 "[ . 1 . 2]" 1
277 1 32 PHE QD 1 34 VAL QG 3.500 . 7.900 2.875 2.603 3.086 . 0 0 "[ . 1 . 2]" 1
278 1 32 PHE QD 1 39 GLY H 5.000 . 7.000 3.730 3.422 4.150 . 0 0 "[ . 1 . 2]" 1
279 1 32 PHE QD 1 52 VAL QG 5.000 . 9.400 2.519 2.189 3.494 . 0 0 "[ . 1 . 2]" 1
280 1 32 PHE QD 1 68 SER HA 5.000 . 7.000 3.565 2.908 4.074 . 0 0 "[ . 1 . 2]" 1
281 1 32 PHE QD 1 68 SER QB 5.000 . 8.000 3.018 2.268 4.132 . 0 0 "[ . 1 . 2]" 1
282 1 32 PHE QD 1 69 VAL QG 5.000 . 9.400 2.646 2.417 3.069 . 0 0 "[ . 1 . 2]" 1
283 1 32 PHE QE 1 34 VAL QG 5.000 . 9.400 3.069 2.509 3.413 . 0 0 "[ . 1 . 2]" 1
284 1 32 PHE QE 1 52 VAL QG 5.000 . 9.400 2.224 1.946 2.778 . 0 0 "[ . 1 . 2]" 1
285 1 32 PHE QE 1 57 ILE MD 5.000 . 8.500 3.540 3.072 3.852 . 0 0 "[ . 1 . 2]" 1
286 1 32 PHE QE 1 68 SER HA 5.000 . 7.000 2.442 2.114 3.057 . 0 0 "[ . 1 . 2]" 1
287 1 32 PHE HZ 1 34 VAL HA 5.000 . 5.000 4.822 4.328 5.033 0.033 7 0 "[ . 1 . 2]" 1
288 1 32 PHE HZ 1 37 GLY QA 5.000 . 6.000 3.692 2.898 4.289 . 0 0 "[ . 1 . 2]" 1
289 1 32 PHE HZ 1 54 GLN HA 5.000 . 5.000 3.003 2.323 3.584 . 0 0 "[ . 1 . 2]" 1
290 1 32 PHE HZ 1 54 GLN QB 5.000 . 6.000 3.230 2.220 4.769 . 0 0 "[ . 1 . 2]" 1
291 1 32 PHE HZ 1 54 GLN QG 5.000 . 6.000 3.821 2.216 4.993 . 0 0 "[ . 1 . 2]" 1
292 1 32 PHE HZ 1 57 ILE MD 5.000 . 6.500 3.284 2.710 4.148 . 0 0 "[ . 1 . 2]" 1
293 1 32 PHE HZ 1 68 SER HA 5.000 . 5.000 3.308 2.704 4.111 . 0 0 "[ . 1 . 2]" 1
294 1 33 ASN H 1 33 ASN QB 2.900 . 3.500 2.468 2.427 2.568 . 0 0 "[ . 1 . 2]" 1
295 1 33 ASN H 1 38 TYR H 3.500 . 3.500 3.608 3.539 3.656 0.156 18 0 "[ . 1 . 2]" 1
296 1 33 ASN H 1 39 GLY QA 3.500 . 4.500 2.830 2.738 2.886 . 0 0 "[ . 1 . 2]" 1
297 1 33 ASN H 1 40 PHE H 5.000 . 5.000 5.044 4.970 5.115 0.115 10 0 "[ . 1 . 2]" 1
298 1 33 ASN HA 1 35 ARG H 5.000 . 5.000 3.777 3.696 3.854 . 0 0 "[ . 1 . 2]" 1
299 1 33 ASN QB 1 36 ASN H 5.000 . 6.000 2.323 2.203 2.574 . 0 0 "[ . 1 . 2]" 1
300 1 33 ASN QB 1 37 GLY H 5.000 . 6.000 3.502 3.264 3.659 . 0 0 "[ . 1 . 2]" 1
301 1 33 ASN QB 1 38 TYR H 3.500 . 4.500 3.435 2.958 3.679 . 0 0 "[ . 1 . 2]" 1
302 1 34 VAL HA 1 35 ARG H 5.000 . 5.000 3.580 3.572 3.589 . 0 0 "[ . 1 . 2]" 1
303 1 34 VAL HA 1 37 GLY H 3.500 . 3.500 3.303 3.159 3.387 . 0 0 "[ . 1 . 2]" 1
304 1 34 VAL HB 1 35 ARG H 3.500 . 3.500 2.619 2.576 2.651 . 0 0 "[ . 1 . 2]" 1
305 1 34 VAL QG 1 35 ARG H 3.500 . 5.900 3.194 3.166 3.214 . 0 0 "[ . 1 . 2]" 1
306 1 34 VAL QG 1 35 ARG HA 5.000 . 7.400 3.220 3.164 3.263 . 0 0 "[ . 1 . 2]" 1
307 1 34 VAL QG 1 66 LEU QD 2.700 . 7.500 4.094 4.026 4.152 . 0 0 "[ . 1 . 2]" 1
308 1 34 VAL QG 1 68 SER QB 5.000 . 8.400 2.039 1.766 2.416 0.034 15 0 "[ . 1 . 2]" 1
309 1 34 VAL QG 1 102 SER H 5.000 . 7.400 4.550 3.834 5.090 . 0 0 "[ . 1 . 2]" 1
310 1 34 VAL QG 1 102 SER QB 3.500 . 6.900 3.114 2.367 3.618 . 0 0 "[ . 1 . 2]" 1
311 1 34 VAL QG 1 104 TYR QB 5.000 . 8.400 4.775 3.304 5.386 . 0 0 "[ . 1 . 2]" 1
312 1 34 VAL QG 1 105 ALA HA 3.500 . 5.900 2.689 2.169 3.682 . 0 0 "[ . 1 . 2]" 1
313 1 34 VAL QG 1 105 ALA MB 2.700 . 6.600 2.746 2.137 3.698 . 0 0 "[ . 1 . 2]" 1
314 1 35 ARG H 1 35 ARG HA 2.900 . 2.900 2.845 2.833 2.860 . 0 0 "[ . 1 . 2]" 1
315 1 35 ARG H 1 35 ARG QB 2.900 . 3.500 2.400 2.295 2.531 . 0 0 "[ . 1 . 2]" 1
316 1 35 ARG H 1 35 ARG QD 5.000 . 6.000 4.188 3.661 4.767 . 0 0 "[ . 1 . 2]" 1
317 1 35 ARG H 1 35 ARG QG 3.500 . 4.500 2.932 2.186 4.085 . 0 0 "[ . 1 . 2]" 1
318 1 35 ARG H 1 36 ASN H 2.900 . 2.900 2.718 2.643 2.796 . 0 0 "[ . 1 . 2]" 1
319 1 35 ARG H 1 37 GLY H 5.000 . 5.000 3.896 3.855 3.998 . 0 0 "[ . 1 . 2]" 1
320 1 35 ARG HA 1 36 ASN H 3.500 . 3.500 3.606 3.544 3.626 0.126 3 0 "[ . 1 . 2]" 1
321 1 35 ARG HA 1 37 GLY H 5.000 . 5.000 4.279 4.197 4.477 . 0 0 "[ . 1 . 2]" 1
322 1 35 ARG QB 1 36 ASN H 2.900 . 3.900 2.729 2.528 3.677 . 0 0 "[ . 1 . 2]" 1
323 1 35 ARG QB 1 37 GLY H 5.000 . 6.000 4.573 4.490 5.098 . 0 0 "[ . 1 . 2]" 1
324 1 35 ARG QG 1 36 ASN H 5.000 . 6.000 3.848 2.403 4.245 . 0 0 "[ . 1 . 2]" 1
325 1 36 ASN H 1 36 ASN QB 2.900 . 3.500 2.429 2.390 2.525 . 0 0 "[ . 1 . 2]" 1
326 1 36 ASN H 1 37 GLY H 2.900 . 2.900 2.367 2.110 2.436 . 0 0 "[ . 1 . 2]" 1
327 1 36 ASN H 1 38 TYR H 3.500 . 3.500 3.774 3.617 3.829 0.329 6 0 "[ . 1 . 2]" 1
328 1 36 ASN HA 1 37 GLY H 3.500 . 3.500 3.530 3.501 3.539 0.039 13 0 "[ . 1 . 2]" 1
329 1 36 ASN QB 1 37 GLY H 3.500 . 4.500 2.834 2.808 2.968 . 0 0 "[ . 1 . 2]" 1
330 1 36 ASN QB 1 38 TYR H 3.500 . 4.500 2.381 2.307 2.517 . 0 0 "[ . 1 . 2]" 1
331 1 37 GLY H 1 38 TYR H 2.900 . 2.900 2.302 2.280 2.390 . 0 0 "[ . 1 . 2]" 1
332 1 37 GLY QA 1 38 TYR H 3.500 . 4.500 2.934 2.915 2.950 . 0 0 "[ . 1 . 2]" 1
333 1 38 TYR H 1 38 TYR QB 3.500 . 4.100 3.237 2.786 3.355 . 0 0 "[ . 1 . 2]" 1
334 1 38 TYR H 1 38 TYR QD 3.500 . 5.500 3.463 3.392 3.564 . 0 0 "[ . 1 . 2]" 1
335 1 38 TYR H 1 38 TYR QE 2.900 . 4.900 4.758 4.681 4.967 0.067 10 0 "[ . 1 . 2]" 1
336 1 38 TYR H 1 39 GLY H 5.000 . 5.000 4.398 4.376 4.461 . 0 0 "[ . 1 . 2]" 1
337 1 38 TYR HA 1 39 GLY H 2.900 . 2.900 2.433 2.321 2.471 . 0 0 "[ . 1 . 2]" 1
338 1 38 TYR QB 1 39 GLY H 2.900 . 3.900 2.306 2.215 2.633 . 0 0 "[ . 1 . 2]" 1
339 1 38 TYR QB 1 53 HIS HD2 5.000 . 6.000 3.041 2.292 5.028 . 0 0 "[ . 1 . 2]" 1
340 1 38 TYR QB 1 54 GLN H 5.000 . 6.000 4.168 3.441 5.305 . 0 0 "[ . 1 . 2]" 1
341 1 38 TYR QD 1 53 HIS HD2 5.000 . 7.000 3.564 2.345 5.638 . 0 0 "[ . 1 . 2]" 1
342 1 39 GLY H 1 40 PHE H 5.000 . 5.000 4.301 4.248 4.381 . 0 0 "[ . 1 . 2]" 1
343 1 39 GLY H 1 52 VAL H 3.500 . 3.500 3.173 2.972 3.363 . 0 0 "[ . 1 . 2]" 1
344 1 39 GLY H 1 52 VAL QG 2.900 . 5.300 2.513 2.183 3.757 . 0 0 "[ . 1 . 2]" 1
345 1 39 GLY QA 1 40 PHE H 2.900 . 3.900 2.287 2.259 2.309 . 0 0 "[ . 1 . 2]" 1
346 1 40 PHE H 1 40 PHE QB 3.500 . 4.100 2.667 2.619 2.693 . 0 0 "[ . 1 . 2]" 1
347 1 40 PHE H 1 40 PHE QD 5.000 . 7.000 3.071 2.957 3.125 . 0 0 "[ . 1 . 2]" 1
348 1 40 PHE H 1 41 ILE H 5.000 . 5.000 4.385 4.341 4.417 . 0 0 "[ . 1 . 2]" 1
349 1 40 PHE H 1 52 VAL QG 3.500 . 5.900 3.716 3.531 4.355 . 0 0 "[ . 1 . 2]" 1
350 1 40 PHE HA 1 41 ILE H 2.900 . 2.900 2.188 2.170 2.201 . 0 0 "[ . 1 . 2]" 1
351 1 40 PHE HA 1 50 VAL H 5.000 . 5.000 4.374 4.198 4.674 . 0 0 "[ . 1 . 2]" 1
352 1 40 PHE HA 1 52 VAL H 3.500 . 3.500 3.137 2.838 3.427 . 0 0 "[ . 1 . 2]" 1
353 1 40 PHE HA 1 52 VAL QG 3.500 . 5.900 2.931 2.725 3.197 . 0 0 "[ . 1 . 2]" 1
354 1 40 PHE QB 1 41 ILE H 3.500 . 4.500 2.933 2.850 3.037 . 0 0 "[ . 1 . 2]" 1
355 1 40 PHE QB 1 50 VAL H 5.000 . 6.000 3.809 3.451 4.035 . 0 0 "[ . 1 . 2]" 1
356 1 40 PHE QD 1 41 ILE H 5.000 . 7.000 3.954 3.797 4.089 . 0 0 "[ . 1 . 2]" 1
357 1 40 PHE QD 1 49 ASP QB 5.000 . 8.000 3.208 2.858 3.933 . 0 0 "[ . 1 . 2]" 1
358 1 40 PHE QD 1 51 PHE HA 5.000 . 7.000 3.118 2.657 3.501 . 0 0 "[ . 1 . 2]" 1
359 1 40 PHE QD 1 52 VAL QG 3.500 . 7.900 4.769 4.627 4.894 . 0 0 "[ . 1 . 2]" 1
360 1 41 ILE H 1 41 ILE HB 2.900 . 2.900 2.648 2.617 2.690 . 0 0 "[ . 1 . 2]" 1
361 1 41 ILE H 1 41 ILE MD 5.000 . 6.500 3.998 3.964 4.052 . 0 0 "[ . 1 . 2]" 1
362 1 41 ILE H 1 41 ILE HG12 5.000 . 5.000 4.067 4.018 4.133 . 0 0 "[ . 1 . 2]" 1
363 1 41 ILE H 1 41 ILE MG 3.500 . 5.000 3.846 3.834 3.863 . 0 0 "[ . 1 . 2]" 1
364 1 41 ILE H 1 42 ASN H 5.000 . 5.000 4.351 4.317 4.372 . 0 0 "[ . 1 . 2]" 1
365 1 41 ILE H 1 49 ASP HA 5.000 . 5.000 4.563 4.351 4.848 . 0 0 "[ . 1 . 2]" 1
366 1 41 ILE H 1 50 VAL H 2.900 . 2.900 2.834 2.686 3.035 0.135 18 0 "[ . 1 . 2]" 1
367 1 41 ILE H 1 50 VAL HB 3.500 . 3.500 3.477 3.231 3.611 0.111 7 0 "[ . 1 . 2]" 1
368 1 41 ILE H 1 50 VAL QG 3.500 . 5.900 3.991 3.870 4.064 . 0 0 "[ . 1 . 2]" 1
369 1 41 ILE H 1 51 PHE HA 5.000 . 5.000 3.811 3.559 4.137 . 0 0 "[ . 1 . 2]" 1
370 1 41 ILE H 1 52 VAL H 5.000 . 5.000 4.200 3.929 4.476 . 0 0 "[ . 1 . 2]" 1
371 1 41 ILE H 1 52 VAL QG 3.500 . 5.900 3.322 2.403 3.750 . 0 0 "[ . 1 . 2]" 1
372 1 41 ILE HA 1 42 ASN H 2.900 . 2.900 2.186 2.158 2.202 . 0 0 "[ . 1 . 2]" 1
373 1 41 ILE HB 1 50 VAL H 5.000 . 5.000 3.917 3.685 4.331 . 0 0 "[ . 1 . 2]" 1
374 1 41 ILE MD 1 52 VAL HB 2.700 . 4.200 2.363 2.020 3.437 . 0 0 "[ . 1 . 2]" 1
375 1 41 ILE MD 1 52 VAL QG 2.700 . 6.600 1.987 1.829 2.129 . 0 0 "[ . 1 . 2]" 1
376 1 41 ILE MD 1 75 VAL QG 2.700 . 6.600 2.257 1.845 2.469 . 0 0 "[ . 1 . 2]" 1
377 1 41 ILE MD 1 77 PHE QD 5.000 . 8.500 3.308 3.106 3.495 . 0 0 "[ . 1 . 2]" 1
378 1 41 ILE MD 1 77 PHE QE 5.000 . 8.500 3.202 2.985 3.504 . 0 0 "[ . 1 . 2]" 1
379 1 41 ILE MD 1 77 PHE HZ 5.000 . 6.500 4.063 3.798 4.417 . 0 0 "[ . 1 . 2]" 1
380 1 41 ILE MD 1 88 ALA MB 2.700 . 5.700 2.768 2.517 3.228 . 0 0 "[ . 1 . 2]" 1
381 1 41 ILE MD 1 91 VAL QG 2.700 . 6.600 2.522 2.353 2.654 . 0 0 "[ . 1 . 2]" 1
382 1 41 ILE QG 1 52 VAL QG 5.000 . 8.400 2.068 1.799 2.333 0.001 8 0 "[ . 1 . 2]" 1
383 1 41 ILE QG 1 75 VAL QG 5.000 . 8.400 3.465 3.324 3.630 . 0 0 "[ . 1 . 2]" 1
384 1 41 ILE MG 1 42 ASN H 2.900 . 4.400 2.476 2.358 2.607 . 0 0 "[ . 1 . 2]" 1
385 1 41 ILE MG 1 43 ARG HA 5.000 . 6.500 3.515 3.335 3.719 . 0 0 "[ . 1 . 2]" 1
386 1 41 ILE MG 1 44 ASN H 5.000 . 6.500 4.823 4.670 4.964 . 0 0 "[ . 1 . 2]" 1
387 1 41 ILE MG 1 75 VAL QG 2.700 . 6.600 2.609 2.271 2.778 . 0 0 "[ . 1 . 2]" 1
388 1 41 ILE MG 1 77 PHE QD 5.000 . 8.500 3.448 3.275 3.570 . 0 0 "[ . 1 . 2]" 1
389 1 41 ILE MG 1 77 PHE QE 2.700 . 6.200 1.991 1.845 2.087 . 0 0 "[ . 1 . 2]" 1
390 1 41 ILE MG 1 77 PHE HZ 3.500 . 5.000 2.481 2.199 2.840 . 0 0 "[ . 1 . 2]" 1
391 1 42 ASN HA 1 43 ARG H 2.900 . 2.900 2.160 2.119 2.186 . 0 0 "[ . 1 . 2]" 1
392 1 42 ASN HA 1 50 VAL H 3.500 . 3.500 3.276 2.913 3.487 . 0 0 "[ . 1 . 2]" 1
393 1 42 ASN QB 1 43 ARG H 2.900 . 3.900 3.480 2.992 3.879 . 0 0 "[ . 1 . 2]" 1
394 1 42 ASN HD22 1 49 ASP H 5.000 . 5.000 4.836 4.207 5.178 0.178 4 0 "[ . 1 . 2]" 1
395 1 43 ARG H 1 43 ARG QB 2.900 . 3.500 2.469 2.184 2.845 . 0 0 "[ . 1 . 2]" 1
396 1 43 ARG H 1 43 ARG QD 5.000 . 6.000 3.967 3.706 4.985 . 0 0 "[ . 1 . 2]" 1
397 1 43 ARG H 1 43 ARG QG 2.900 . 3.900 2.548 1.813 3.900 . 0 0 "[ . 1 . 2]" 1
398 1 43 ARG H 1 44 ASN H 5.000 . 5.000 4.596 4.555 4.629 . 0 0 "[ . 1 . 2]" 1
399 1 43 ARG H 1 47 LYS H 5.000 . 5.000 4.288 3.993 4.850 . 0 0 "[ . 1 . 2]" 1
400 1 43 ARG H 1 48 GLU H 3.500 . 3.500 3.099 2.653 3.691 0.191 11 0 "[ . 1 . 2]" 1
401 1 43 ARG H 1 49 ASP HA 3.500 . 3.500 3.393 2.837 3.657 0.157 18 0 "[ . 1 . 2]" 1
402 1 43 ARG H 1 50 VAL H 5.000 . 5.000 4.183 3.518 4.451 . 0 0 "[ . 1 . 2]" 1
403 1 43 ARG HA 1 44 ASN H 2.900 . 2.900 2.200 2.166 2.235 . 0 0 "[ . 1 . 2]" 1
404 1 43 ARG HA 1 45 ASP H 3.500 . 3.500 3.493 3.415 3.535 0.035 15 0 "[ . 1 . 2]" 1
405 1 43 ARG QB 1 44 ASN H 3.500 . 4.500 3.165 2.888 3.733 . 0 0 "[ . 1 . 2]" 1
406 1 43 ARG QB 1 45 ASP H 2.900 . 3.900 2.381 2.088 3.008 . 0 0 "[ . 1 . 2]" 1
407 1 43 ARG QB 1 46 THR H 3.500 . 4.500 2.364 2.044 3.302 . 0 0 "[ . 1 . 2]" 1
408 1 43 ARG QD 1 47 LYS H 5.000 . 6.000 4.473 3.417 5.028 . 0 0 "[ . 1 . 2]" 1
409 1 43 ARG QD 1 48 GLU H 3.500 . 4.500 3.507 2.757 4.373 . 0 0 "[ . 1 . 2]" 1
410 1 43 ARG QD 1 50 VAL QG 3.500 . 6.900 2.542 2.088 4.192 . 0 0 "[ . 1 . 2]" 1
411 1 43 ARG QD 1 79 VAL QG 3.500 . 6.900 2.418 1.914 3.668 . 0 0 "[ . 1 . 2]" 1
412 1 43 ARG HE 1 45 ASP H 5.000 . 5.000 3.989 3.209 5.115 0.115 7 0 "[ . 1 . 2]" 1
413 1 43 ARG HE 1 46 THR H 3.500 . 3.500 3.430 2.193 3.775 0.275 15 0 "[ . 1 . 2]" 1
414 1 43 ARG QG 1 44 ASN H 5.000 . 6.000 3.879 2.638 4.356 . 0 0 "[ . 1 . 2]" 1
415 1 43 ARG QG 1 45 ASP H 5.000 . 6.000 3.810 1.892 4.279 . 0 0 "[ . 1 . 2]" 1
416 1 43 ARG QG 1 46 THR H 5.000 . 6.000 3.823 2.236 4.439 . 0 0 "[ . 1 . 2]" 1
417 1 43 ARG QG 1 50 VAL QG 3.500 . 6.900 2.166 1.908 3.423 . 0 0 "[ . 1 . 2]" 1
418 1 43 ARG QG 1 79 VAL QG 5.000 . 8.400 3.282 2.941 4.168 . 0 0 "[ . 1 . 2]" 1
419 1 44 ASN H 1 44 ASN HA 2.900 . 2.900 2.941 2.918 2.963 0.063 7 0 "[ . 1 . 2]" 1
420 1 44 ASN H 1 44 ASN QB 2.900 . 3.500 2.428 2.344 2.692 . 0 0 "[ . 1 . 2]" 1
421 1 44 ASN H 1 45 ASP H 2.900 . 2.900 2.422 2.328 2.583 . 0 0 "[ . 1 . 2]" 1
422 1 44 ASN HA 1 47 LYS H 5.000 . 5.000 3.642 2.952 3.882 . 0 0 "[ . 1 . 2]" 1
423 1 45 ASP H 1 45 ASP HA 2.900 . 2.900 2.952 2.867 2.982 0.082 7 0 "[ . 1 . 2]" 1
424 1 45 ASP H 1 45 ASP QB 2.900 . 3.500 2.478 2.307 2.593 . 0 0 "[ . 1 . 2]" 1
425 1 45 ASP H 1 46 THR H 2.900 . 2.900 2.261 2.088 2.604 . 0 0 "[ . 1 . 2]" 1
426 1 45 ASP H 1 46 THR HA 5.000 . 5.000 4.932 4.782 5.180 0.180 11 0 "[ . 1 . 2]" 1
427 1 45 ASP H 1 47 LYS H 3.500 . 3.500 3.200 2.881 3.473 . 0 0 "[ . 1 . 2]" 1
428 1 45 ASP HA 1 46 THR H 3.500 . 3.500 3.600 3.569 3.633 0.133 5 0 "[ . 1 . 2]" 1
429 1 45 ASP QB 1 46 THR H 5.000 . 6.000 2.712 2.370 2.912 . 0 0 "[ . 1 . 2]" 1
430 1 45 ASP QB 1 46 THR MG 5.000 . 7.500 4.037 2.614 4.882 . 0 0 "[ . 1 . 2]" 1
431 1 46 THR H 1 46 THR HA 2.900 . 2.900 2.985 2.962 2.991 0.091 14 0 "[ . 1 . 2]" 1
432 1 46 THR H 1 46 THR HB 3.500 . 3.500 3.099 2.755 3.800 0.300 11 0 "[ . 1 . 2]" 1
433 1 46 THR H 1 46 THR MG 2.900 . 4.400 3.457 2.274 3.979 . 0 0 "[ . 1 . 2]" 1
434 1 46 THR H 1 47 LYS H 2.900 . 2.900 1.929 1.678 2.077 0.122 19 0 "[ . 1 . 2]" 1
435 1 46 THR H 1 48 GLU H 3.500 . 3.500 3.431 3.084 3.639 0.139 17 0 "[ . 1 . 2]" 1
436 1 46 THR HA 1 47 LYS H 3.500 . 3.500 3.418 3.222 3.468 . 0 0 "[ . 1 . 2]" 1
437 1 46 THR HA 1 48 GLU H 5.000 . 5.000 4.679 4.352 5.035 0.035 9 0 "[ . 1 . 2]" 1
438 1 46 THR HB 1 48 GLU H 5.000 . 5.000 3.291 2.482 5.166 0.166 9 0 "[ . 1 . 2]" 1
439 1 46 THR MG 1 47 LYS H 3.500 . 5.000 4.019 2.751 4.191 . 0 0 "[ . 1 . 2]" 1
440 1 46 THR MG 1 48 GLU H 3.500 . 5.000 3.899 2.079 4.337 . 0 0 "[ . 1 . 2]" 1
441 1 47 LYS H 1 47 LYS HA 2.900 . 2.900 2.297 2.285 2.304 . 0 0 "[ . 1 . 2]" 1
442 1 47 LYS H 1 47 LYS QB 3.500 . 4.100 3.393 3.252 3.495 . 0 0 "[ . 1 . 2]" 1
443 1 47 LYS H 1 47 LYS QD 2.900 . 3.900 2.533 2.356 2.882 . 0 0 "[ . 1 . 2]" 1
444 1 47 LYS H 1 47 LYS QE 5.000 . 6.000 4.486 4.222 4.746 . 0 0 "[ . 1 . 2]" 1
445 1 47 LYS H 1 47 LYS QG 3.500 . 4.500 3.510 2.968 4.049 . 0 0 "[ . 1 . 2]" 1
446 1 47 LYS H 1 48 GLU H 2.900 . 2.900 2.504 2.413 2.688 . 0 0 "[ . 1 . 2]" 1
447 1 47 LYS HA 1 48 GLU H 2.900 . 2.900 2.836 2.638 3.015 0.115 11 0 "[ . 1 . 2]" 1
448 1 47 LYS QB 1 48 GLU H 2.900 . 3.900 3.820 3.729 3.893 . 0 0 "[ . 1 . 2]" 1
449 1 47 LYS QD 1 48 GLU H 3.500 . 4.500 4.281 4.216 4.434 . 0 0 "[ . 1 . 2]" 1
450 1 48 GLU H 1 48 GLU HA 2.900 . 2.900 2.978 2.961 2.989 0.089 13 0 "[ . 1 . 2]" 1
451 1 48 GLU H 1 48 GLU QB 2.900 . 3.500 2.517 2.431 2.684 . 0 0 "[ . 1 . 2]" 1
452 1 48 GLU H 1 48 GLU QG 2.900 . 3.900 3.002 2.663 3.526 . 0 0 "[ . 1 . 2]" 1
453 1 48 GLU H 1 49 ASP H 5.000 . 5.000 4.409 2.129 4.599 . 0 0 "[ . 1 . 2]" 1
454 1 48 GLU HA 1 49 ASP H 2.900 . 2.900 2.352 2.216 3.323 0.423 19 0 "[ . 1 . 2]" 1
455 1 48 GLU QB 1 49 ASP H 2.900 . 3.900 2.688 2.284 3.239 . 0 0 "[ . 1 . 2]" 1
456 1 48 GLU QG 1 49 ASP H 3.500 . 4.500 3.870 3.198 4.264 . 0 0 "[ . 1 . 2]" 1
457 1 49 ASP H 1 49 ASP HA 2.900 . 2.900 2.904 2.301 2.963 0.063 8 0 "[ . 1 . 2]" 1
458 1 49 ASP H 1 49 ASP QB 2.900 . 3.500 2.592 2.401 3.155 . 0 0 "[ . 1 . 2]" 1
459 1 49 ASP H 1 50 VAL H 5.000 . 5.000 4.570 4.039 4.637 . 0 0 "[ . 1 . 2]" 1
460 1 49 ASP HA 1 50 VAL H 2.900 . 2.900 2.217 2.184 2.249 . 0 0 "[ . 1 . 2]" 1
461 1 49 ASP QB 1 50 VAL H 3.500 . 4.500 2.924 2.702 3.532 . 0 0 "[ . 1 . 2]" 1
462 1 50 VAL H 1 50 VAL HB 2.900 . 2.900 2.782 2.741 2.817 . 0 0 "[ . 1 . 2]" 1
463 1 50 VAL H 1 50 VAL QG 2.900 . 4.600 2.625 2.574 2.660 . 0 0 "[ . 1 . 2]" 1
464 1 50 VAL HA 1 51 PHE H 2.900 . 2.900 2.229 2.208 2.260 . 0 0 "[ . 1 . 2]" 1
465 1 50 VAL HA 1 86 ALA MB 5.000 . 6.500 2.753 2.472 3.345 . 0 0 "[ . 1 . 2]" 1
466 1 50 VAL HB 1 51 PHE H 3.500 . 3.500 3.833 3.780 3.878 0.378 8 0 "[ . 1 . 2]" 1
467 1 50 VAL QG 1 51 PHE H 2.900 . 5.300 2.171 2.099 2.225 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL QG 1 77 PHE QD 5.000 . 9.400 3.417 3.267 3.598 . 0 0 "[ . 1 . 2]" 1
469 1 50 VAL QG 1 77 PHE QE 3.500 . 7.900 2.062 1.904 2.176 . 0 0 "[ . 1 . 2]" 1
470 1 50 VAL QG 1 77 PHE HZ 5.000 . 7.400 2.751 2.401 2.898 . 0 0 "[ . 1 . 2]" 1
471 1 50 VAL QG 1 86 ALA MB 2.700 . 6.600 2.237 1.888 2.860 . 0 0 "[ . 1 . 2]" 1
472 1 50 VAL QG 1 87 GLU H 3.500 . 5.900 3.532 3.383 3.804 . 0 0 "[ . 1 . 2]" 1
473 1 50 VAL QG 1 87 GLU HA 2.700 . 5.100 2.743 2.313 2.946 . 0 0 "[ . 1 . 2]" 1
474 1 50 VAL QG 1 88 ALA H 2.900 . 5.300 2.423 2.317 2.499 . 0 0 "[ . 1 . 2]" 1
475 1 50 VAL QG 1 88 ALA HA 5.000 . 7.400 2.760 2.600 2.921 . 0 0 "[ . 1 . 2]" 1
476 1 51 PHE H 1 51 PHE HA 2.900 . 2.900 2.947 2.923 2.960 0.060 15 0 "[ . 1 . 2]" 1
477 1 51 PHE H 1 51 PHE QB 2.900 . 3.500 2.343 2.321 2.366 . 0 0 "[ . 1 . 2]" 1
478 1 51 PHE H 1 51 PHE QD 3.500 . 5.500 4.242 4.220 4.263 . 0 0 "[ . 1 . 2]" 1
479 1 51 PHE H 1 52 VAL H 5.000 . 5.000 4.564 4.538 4.606 . 0 0 "[ . 1 . 2]" 1
480 1 51 PHE H 1 87 GLU HA 2.900 . 2.900 2.946 2.410 3.076 0.176 10 0 "[ . 1 . 2]" 1
481 1 51 PHE H 1 87 GLU QB 5.000 . 6.000 4.768 4.039 4.930 . 0 0 "[ . 1 . 2]" 1
482 1 51 PHE H 1 87 GLU QG 5.000 . 6.000 4.864 4.680 5.568 . 0 0 "[ . 1 . 2]" 1
483 1 51 PHE H 1 88 ALA H 5.000 . 5.000 3.822 3.657 3.958 . 0 0 "[ . 1 . 2]" 1
484 1 51 PHE HA 1 52 VAL H 2.900 . 2.900 2.210 2.191 2.242 . 0 0 "[ . 1 . 2]" 1
485 1 51 PHE HA 1 52 VAL QG 5.000 . 7.400 3.602 3.373 3.788 . 0 0 "[ . 1 . 2]" 1
486 1 51 PHE QB 1 52 VAL H 5.000 . 6.000 3.722 3.616 3.756 . 0 0 "[ . 1 . 2]" 1
487 1 51 PHE QD 1 52 VAL H 3.500 . 5.500 3.471 3.214 3.560 . 0 0 "[ . 1 . 2]" 1
488 1 51 PHE QD 1 87 GLU HA 5.000 . 7.000 3.817 3.509 4.461 . 0 0 "[ . 1 . 2]" 1
489 1 51 PHE QD 1 87 GLU QB 5.000 . 8.000 3.892 2.617 4.853 . 0 0 "[ . 1 . 2]" 1
490 1 51 PHE QD 1 87 GLU QG 5.000 . 8.000 3.004 2.380 4.789 . 0 0 "[ . 1 . 2]" 1
491 1 51 PHE QE 1 53 HIS HD2 5.000 . 7.000 2.780 2.293 4.018 . 0 0 "[ . 1 . 2]" 1
492 1 51 PHE HZ 1 53 HIS HD2 5.000 . 5.000 3.418 2.639 5.047 0.047 13 0 "[ . 1 . 2]" 1
493 1 52 VAL H 1 52 VAL HB 3.500 . 3.500 3.124 2.691 3.849 0.349 6 0 "[ . 1 . 2]" 1
494 1 52 VAL H 1 52 VAL QG 2.900 . 4.600 2.179 1.996 2.731 . 0 0 "[ . 1 . 2]" 1
495 1 52 VAL H 1 53 HIS H 5.000 . 5.000 4.453 4.392 4.479 . 0 0 "[ . 1 . 2]" 1
496 1 52 VAL H 1 88 ALA MB 5.000 . 6.500 4.481 4.342 4.781 . 0 0 "[ . 1 . 2]" 1
497 1 52 VAL HA 1 53 HIS H 2.900 . 2.900 2.268 2.142 2.372 . 0 0 "[ . 1 . 2]" 1
498 1 52 VAL HA 1 88 ALA H 3.500 . 3.500 2.888 2.792 2.988 . 0 0 "[ . 1 . 2]" 1
499 1 52 VAL HA 1 88 ALA MB 3.500 . 5.000 2.498 2.317 3.310 . 0 0 "[ . 1 . 2]" 1
500 1 52 VAL HB 1 53 HIS H 3.500 . 3.500 3.794 2.329 3.949 0.449 5 0 "[ . 1 . 2]" 1
501 1 52 VAL QG 1 53 HIS H 2.900 . 5.300 1.963 1.783 3.016 0.017 9 0 "[ . 1 . 2]" 1
502 1 52 VAL QG 1 56 ALA H 3.500 . 5.900 3.882 3.760 4.760 . 0 0 "[ . 1 . 2]" 1
503 1 52 VAL QG 1 56 ALA MB 2.700 . 6.600 2.136 1.987 2.981 . 0 0 "[ . 1 . 2]" 1
504 1 52 VAL QG 1 69 VAL QG 3.500 . 8.300 3.057 2.768 3.586 . 0 0 "[ . 1 . 2]" 1
505 1 52 VAL QG 1 88 ALA MB 2.700 . 6.600 2.389 1.805 2.644 . 0 0 "[ . 1 . 2]" 1
506 1 53 HIS H 1 53 HIS QB 2.900 . 3.500 2.643 2.519 2.745 . 0 0 "[ . 1 . 2]" 1
507 1 53 HIS H 1 54 GLN H 5.000 . 5.000 4.437 4.382 4.506 . 0 0 "[ . 1 . 2]" 1
508 1 53 HIS H 1 56 ALA MB 2.900 . 4.400 2.130 1.989 2.276 . 0 0 "[ . 1 . 2]" 1
509 1 53 HIS H 1 88 ALA H 5.000 . 5.000 4.679 4.362 5.000 . 0 0 "[ . 1 . 2]" 1
510 1 53 HIS H 1 88 ALA MB 5.000 . 6.500 3.851 3.646 4.482 . 0 0 "[ . 1 . 2]" 1
511 1 53 HIS HA 1 54 GLN H 2.900 . 2.900 2.415 2.366 2.537 . 0 0 "[ . 1 . 2]" 1
512 1 53 HIS QB 1 54 GLN H 3.500 . 4.500 3.014 2.216 3.326 . 0 0 "[ . 1 . 2]" 1
513 1 53 HIS QB 1 55 THR H 5.000 . 6.000 2.428 2.112 2.798 . 0 0 "[ . 1 . 2]" 1
514 1 53 HIS QB 1 56 ALA MB 5.000 . 7.500 2.842 2.310 3.212 . 0 0 "[ . 1 . 2]" 1
515 1 54 GLN H 1 54 GLN HA 2.900 . 2.900 2.863 2.847 2.891 . 0 0 "[ . 1 . 2]" 1
516 1 54 GLN H 1 54 GLN QB 2.900 . 3.500 2.516 2.415 2.585 . 0 0 "[ . 1 . 2]" 1
517 1 54 GLN H 1 54 GLN QG 2.900 . 3.900 2.280 2.127 2.781 . 0 0 "[ . 1 . 2]" 1
518 1 54 GLN H 1 55 THR H 2.900 . 2.900 2.597 2.441 2.667 . 0 0 "[ . 1 . 2]" 1
519 1 54 GLN HA 1 55 THR H 5.000 . 5.000 3.499 3.425 3.576 . 0 0 "[ . 1 . 2]" 1
520 1 54 GLN HA 1 57 ILE H 3.500 . 3.500 3.642 3.568 3.732 0.232 8 0 "[ . 1 . 2]" 1
521 1 54 GLN HA 1 57 ILE MD 2.700 . 4.200 2.442 2.087 3.412 . 0 0 "[ . 1 . 2]" 1
522 1 54 GLN QB 1 55 THR H 3.500 . 4.500 3.440 2.669 3.806 . 0 0 "[ . 1 . 2]" 1
523 1 54 GLN QG 1 55 THR H 5.000 . 6.000 3.247 2.584 4.440 . 0 0 "[ . 1 . 2]" 1
524 1 54 GLN QG 1 57 ILE MD 5.000 . 7.500 4.215 3.228 5.584 . 0 0 "[ . 1 . 2]" 1
525 1 55 THR H 1 55 THR HA 2.900 . 2.900 2.932 2.888 2.949 0.049 16 0 "[ . 1 . 2]" 1
526 1 55 THR H 1 55 THR HB 3.500 . 3.500 3.353 2.528 3.685 0.185 16 0 "[ . 1 . 2]" 1
527 1 55 THR H 1 55 THR MG 2.900 . 4.400 2.333 2.132 2.432 . 0 0 "[ . 1 . 2]" 1
528 1 55 THR H 1 57 ILE H 5.000 . 5.000 4.087 3.983 4.241 . 0 0 "[ . 1 . 2]" 1
529 1 55 THR HA 1 56 ALA H 2.900 . 2.900 3.268 3.252 3.330 0.430 6 0 "[ . 1 . 2]" 1
530 1 55 THR HA 1 57 ILE H 3.500 . 3.500 3.404 3.345 3.445 . 0 0 "[ . 1 . 2]" 1
531 1 55 THR HB 1 56 ALA H 5.000 . 5.000 4.327 4.306 4.405 . 0 0 "[ . 1 . 2]" 1
532 1 55 THR MG 1 56 ALA H 3.500 . 5.000 3.818 3.026 4.182 . 0 0 "[ . 1 . 2]" 1
533 1 56 ALA H 1 56 ALA HA 2.900 . 2.900 2.964 2.944 2.974 0.074 14 0 "[ . 1 . 2]" 1
534 1 56 ALA H 1 56 ALA MB 2.900 . 4.000 2.374 2.342 2.400 . 0 0 "[ . 1 . 2]" 1
535 1 56 ALA H 1 57 ILE H 2.900 . 2.900 2.168 2.103 2.295 . 0 0 "[ . 1 . 2]" 1
536 1 56 ALA H 1 57 ILE HB 5.000 . 5.000 4.480 4.352 4.876 . 0 0 "[ . 1 . 2]" 1
537 1 56 ALA H 1 57 ILE MD 3.500 . 5.000 4.255 4.109 4.305 . 0 0 "[ . 1 . 2]" 1
538 1 56 ALA H 1 57 ILE HG12 5.000 . 5.000 4.595 3.202 5.059 0.059 5 0 "[ . 1 . 2]" 1
539 1 56 ALA HA 1 57 ILE H 3.500 . 3.500 3.365 3.324 3.420 . 0 0 "[ . 1 . 2]" 1
540 1 56 ALA HA 1 90 ASN H 3.500 . 3.500 3.266 2.860 3.461 . 0 0 "[ . 1 . 2]" 1
541 1 56 ALA HA 1 91 VAL H 5.000 . 5.000 4.170 3.966 4.306 . 0 0 "[ . 1 . 2]" 1
542 1 56 ALA HA 1 91 VAL QG 5.000 . 7.400 4.037 3.863 4.180 . 0 0 "[ . 1 . 2]" 1
543 1 56 ALA MB 1 57 ILE H 2.900 . 4.400 3.220 3.094 3.308 . 0 0 "[ . 1 . 2]" 1
544 1 56 ALA MB 1 88 ALA MB 3.500 . 6.500 3.075 2.842 3.227 . 0 0 "[ . 1 . 2]" 1
545 1 56 ALA MB 1 89 ALA H 5.000 . 6.500 4.028 3.881 4.175 . 0 0 "[ . 1 . 2]" 1
546 1 56 ALA MB 1 89 ALA HA 2.700 . 4.200 2.120 1.952 2.509 . 0 0 "[ . 1 . 2]" 1
547 1 56 ALA MB 1 89 ALA MB 3.500 . 6.500 3.576 3.428 3.843 . 0 0 "[ . 1 . 2]" 1
548 1 56 ALA MB 1 90 ASN H 2.900 . 4.400 3.386 3.214 3.561 . 0 0 "[ . 1 . 2]" 1
549 1 56 ALA MB 1 91 VAL H 3.500 . 5.000 3.421 3.311 3.561 . 0 0 "[ . 1 . 2]" 1
550 1 56 ALA MB 1 91 VAL QG 2.700 . 6.600 2.230 2.074 2.397 . 0 0 "[ . 1 . 2]" 1
551 1 57 ILE H 1 57 ILE HB 2.900 . 2.900 2.512 2.467 2.695 . 0 0 "[ . 1 . 2]" 1
552 1 57 ILE H 1 57 ILE MD 2.900 . 4.400 3.390 3.107 3.473 . 0 0 "[ . 1 . 2]" 1
553 1 57 ILE H 1 57 ILE HG12 3.500 . 3.500 3.303 2.003 3.630 0.130 16 0 "[ . 1 . 2]" 1
554 1 57 ILE H 1 57 ILE MG 2.900 . 4.400 3.776 3.763 3.811 . 0 0 "[ . 1 . 2]" 1
555 1 57 ILE H 1 58 LYS H 5.000 . 5.000 4.450 4.293 4.522 . 0 0 "[ . 1 . 2]" 1
556 1 57 ILE HA 1 58 LYS H 2.900 . 2.900 2.172 2.156 2.205 . 0 0 "[ . 1 . 2]" 1
557 1 57 ILE HA 1 91 VAL H 2.900 . 2.900 3.009 2.824 3.183 0.283 20 0 "[ . 1 . 2]" 1
558 1 57 ILE HA 1 91 VAL QG 3.500 . 5.900 3.247 3.064 3.447 . 0 0 "[ . 1 . 2]" 1
559 1 57 ILE MD 1 58 LYS H 5.000 . 6.500 5.075 3.795 5.466 . 0 0 "[ . 1 . 2]" 1
560 1 57 ILE MD 1 67 ARG QB 5.000 . 7.500 3.528 2.959 4.603 . 0 0 "[ . 1 . 2]" 1
561 1 57 ILE MD 1 67 ARG QD 5.000 . 7.500 4.223 3.112 5.532 . 0 0 "[ . 1 . 2]" 1
562 1 57 ILE MD 1 68 SER H 3.500 . 5.000 3.861 3.578 4.230 . 0 0 "[ . 1 . 2]" 1
563 1 57 ILE MD 1 68 SER HA 3.500 . 5.000 3.223 2.792 3.791 . 0 0 "[ . 1 . 2]" 1
564 1 57 ILE MD 1 69 VAL QG 2.700 . 6.600 2.474 1.958 3.653 . 0 0 "[ . 1 . 2]" 1
565 1 57 ILE MD 1 91 VAL HB 5.000 . 6.500 4.209 2.437 4.756 . 0 0 "[ . 1 . 2]" 1
566 1 57 ILE MD 1 91 VAL QG 5.000 . 8.900 3.873 2.740 4.264 . 0 0 "[ . 1 . 2]" 1
567 1 57 ILE MD 1 99 VAL QG 3.500 . 7.400 3.173 2.629 3.679 . 0 0 "[ . 1 . 2]" 1
568 1 57 ILE QG 1 69 VAL QG 5.000 . 8.400 3.049 2.328 4.927 . 0 0 "[ . 1 . 2]" 1
569 1 57 ILE QG 1 91 VAL QG 5.000 . 8.400 3.323 2.884 4.427 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE MG 1 58 LYS H 2.900 . 4.400 2.873 2.738 3.142 . 0 0 "[ . 1 . 2]" 1
571 1 57 ILE MG 1 58 LYS QB 5.000 . 7.500 4.250 4.162 4.333 . 0 0 "[ . 1 . 2]" 1
572 1 57 ILE MG 1 59 LYS H 5.000 . 6.500 2.796 2.689 2.952 . 0 0 "[ . 1 . 2]" 1
573 1 57 ILE MG 1 60 ASN HA 2.700 . 4.200 3.396 3.147 3.709 . 0 0 "[ . 1 . 2]" 1
574 1 57 ILE MG 1 67 ARG QD 5.000 . 7.500 4.711 3.627 5.342 . 0 0 "[ . 1 . 2]" 1
575 1 57 ILE MG 1 68 SER H 5.000 . 6.500 5.066 4.476 5.272 . 0 0 "[ . 1 . 2]" 1
576 1 57 ILE MG 1 69 VAL QG 3.500 . 7.400 3.515 2.871 4.530 . 0 0 "[ . 1 . 2]" 1
577 1 57 ILE MG 1 91 VAL H 5.000 . 6.500 4.648 4.490 4.731 . 0 0 "[ . 1 . 2]" 1
578 1 57 ILE MG 1 91 VAL HB 5.000 . 6.500 3.478 3.170 3.772 . 0 0 "[ . 1 . 2]" 1
579 1 57 ILE MG 1 99 VAL QG 2.700 . 6.600 2.458 2.184 3.011 . 0 0 "[ . 1 . 2]" 1
580 1 58 LYS H 1 58 LYS QB 2.900 . 3.500 2.366 2.312 2.411 . 0 0 "[ . 1 . 2]" 1
581 1 58 LYS H 1 58 LYS QD 5.000 . 6.000 4.578 4.366 4.956 . 0 0 "[ . 1 . 2]" 1
582 1 58 LYS H 1 59 LYS H 3.500 . 3.500 2.350 2.217 2.616 . 0 0 "[ . 1 . 2]" 1
583 1 58 LYS H 1 90 ASN HA 5.000 . 5.000 3.593 3.329 3.901 . 0 0 "[ . 1 . 2]" 1
584 1 58 LYS H 1 91 VAL H 2.900 . 2.900 2.910 2.738 2.971 0.071 2 0 "[ . 1 . 2]" 1
585 1 58 LYS H 1 91 VAL HB 3.500 . 3.500 3.455 3.232 3.572 0.072 12 0 "[ . 1 . 2]" 1
586 1 58 LYS H 1 91 VAL QG 3.500 . 5.900 3.960 3.814 4.052 . 0 0 "[ . 1 . 2]" 1
587 1 58 LYS H 1 92 THR MG 3.500 . 5.000 3.232 3.053 3.346 . 0 0 "[ . 1 . 2]" 1
588 1 58 LYS HA 1 59 LYS H 5.000 . 5.000 3.614 3.599 3.624 . 0 0 "[ . 1 . 2]" 1
589 1 58 LYS HA 1 91 VAL H 5.000 . 5.000 5.018 4.843 5.164 0.164 10 0 "[ . 1 . 2]" 1
590 1 58 LYS QB 1 90 ASN H 3.500 . 4.500 3.819 3.620 4.014 . 0 0 "[ . 1 . 2]" 1
591 1 58 LYS QB 1 91 VAL H 3.500 . 4.500 3.510 3.339 3.630 . 0 0 "[ . 1 . 2]" 1
592 1 58 LYS QG 1 92 THR MG 5.000 . 7.500 3.430 2.944 4.013 . 0 0 "[ . 1 . 2]" 1
593 1 59 LYS H 1 92 THR MG 5.000 . 6.500 2.471 2.289 2.600 . 0 0 "[ . 1 . 2]" 1
594 1 59 LYS QB 1 92 THR MG 2.700 . 5.200 2.546 2.015 2.852 . 0 0 "[ . 1 . 2]" 1
595 1 59 LYS QB 1 99 VAL H 3.500 . 4.500 3.412 2.992 4.091 . 0 0 "[ . 1 . 2]" 1
596 1 59 LYS QD 1 92 THR MG 2.700 . 5.200 2.775 1.971 3.796 . 0 0 "[ . 1 . 2]" 1
597 1 59 LYS QE 1 92 THR MG 2.700 . 5.200 2.915 2.478 3.646 . 0 0 "[ . 1 . 2]" 1
598 1 59 LYS QG 1 92 THR MG 2.700 . 5.200 2.375 1.943 3.354 . 0 0 "[ . 1 . 2]" 1
599 1 60 ASN HA 1 61 ASN H 5.000 . 5.000 2.421 2.320 2.645 . 0 0 "[ . 1 . 2]" 1
600 1 60 ASN HA 1 99 VAL H 3.500 . 3.500 3.407 2.414 3.645 0.145 16 0 "[ . 1 . 2]" 1
601 1 60 ASN HA 1 99 VAL QG 2.700 . 5.100 2.536 1.983 2.876 . 0 0 "[ . 1 . 2]" 1
602 1 60 ASN HD21 1 68 SER H 5.000 . 5.000 4.933 4.052 5.050 0.050 5 0 "[ . 1 . 2]" 1
603 1 61 ASN H 1 99 VAL QG 5.000 . 7.400 3.307 2.738 3.742 . 0 0 "[ . 1 . 2]" 1
604 1 61 ASN QB 1 64 LYS H 5.000 . 6.000 2.630 2.488 2.966 . 0 0 "[ . 1 . 2]" 1
605 1 61 ASN QB 1 99 VAL QG 5.000 . 8.400 3.990 2.956 4.996 . 0 0 "[ . 1 . 2]" 1
606 1 62 PRO HA 1 63 ARG H 3.500 . 3.500 3.552 3.490 3.602 0.102 12 0 "[ . 1 . 2]" 1
607 1 62 PRO HA 1 64 LYS H 5.000 . 5.000 4.333 3.936 4.545 . 0 0 "[ . 1 . 2]" 1
608 1 62 PRO QB 1 63 ARG H 3.500 . 4.500 3.251 2.671 3.640 . 0 0 "[ . 1 . 2]" 1
609 1 62 PRO QG 1 63 ARG H 3.500 . 4.500 2.943 2.494 3.960 . 0 0 "[ . 1 . 2]" 1
610 1 63 ARG H 1 63 ARG HA 2.900 . 2.900 2.882 2.855 2.968 0.068 6 0 "[ . 1 . 2]" 1
611 1 63 ARG H 1 63 ARG QB 2.900 . 3.500 2.457 2.434 2.610 . 0 0 "[ . 1 . 2]" 1
612 1 63 ARG H 1 63 ARG QD 3.500 . 4.500 3.881 3.690 4.202 . 0 0 "[ . 1 . 2]" 1
613 1 63 ARG H 1 63 ARG QG 2.900 . 3.900 2.411 2.158 2.600 . 0 0 "[ . 1 . 2]" 1
614 1 63 ARG H 1 64 LYS H 2.900 . 2.900 2.525 2.026 2.674 . 0 0 "[ . 1 . 2]" 1
615 1 63 ARG H 1 64 LYS QG 5.000 . 6.000 4.937 4.268 5.769 . 0 0 "[ . 1 . 2]" 1
616 1 63 ARG HA 1 64 LYS H 3.500 . 3.500 3.568 3.426 3.601 0.101 16 0 "[ . 1 . 2]" 1
617 1 63 ARG QB 1 64 LYS H 5.000 . 6.000 2.665 2.491 3.600 . 0 0 "[ . 1 . 2]" 1
618 1 63 ARG QG 1 64 LYS H 5.000 . 6.000 4.053 2.372 4.204 . 0 0 "[ . 1 . 2]" 1
619 1 64 LYS H 1 64 LYS QB 3.500 . 4.100 2.839 2.561 3.381 . 0 0 "[ . 1 . 2]" 1
620 1 64 LYS H 1 64 LYS QD 5.000 . 6.000 4.720 4.220 5.382 . 0 0 "[ . 1 . 2]" 1
621 1 64 LYS H 1 64 LYS QG 3.500 . 4.500 3.204 2.442 4.068 . 0 0 "[ . 1 . 2]" 1
622 1 64 LYS QB 1 66 LEU H 5.000 . 6.000 4.715 4.435 5.231 . 0 0 "[ . 1 . 2]" 1
623 1 64 LYS QD 1 105 ALA MB 5.000 . 7.500 5.005 3.852 5.322 . 0 0 "[ . 1 . 2]" 1
624 1 64 LYS QE 1 105 ALA MB 5.000 . 7.500 5.000 3.725 5.568 . 0 0 "[ . 1 . 2]" 1
625 1 65 TYR HA 1 66 LEU H 3.500 . 3.500 2.132 2.083 2.163 . 0 0 "[ . 1 . 2]" 1
626 1 65 TYR QB 1 66 LEU H 2.900 . 3.900 3.397 3.250 3.809 . 0 0 "[ . 1 . 2]" 1
627 1 65 TYR QD 1 66 LEU H 5.000 . 7.000 4.537 3.683 4.707 . 0 0 "[ . 1 . 2]" 1
628 1 65 TYR QD 1 66 LEU QD 3.500 . 7.900 4.353 4.083 5.053 . 0 0 "[ . 1 . 2]" 1
629 1 65 TYR QD 1 106 ALA MB 5.000 . 7.000 5.268 4.457 5.742 . 0 0 "[ . 1 . 2]" 1
630 1 65 TYR QE 1 66 LEU QD 5.000 . 9.400 5.213 4.864 6.280 . 0 0 "[ . 1 . 2]" 1
631 1 66 LEU H 1 66 LEU QB 2.900 . 3.500 2.718 2.659 3.258 . 0 0 "[ . 1 . 2]" 1
632 1 66 LEU H 1 66 LEU HG 2.900 . 2.900 2.953 2.354 3.065 0.165 4 0 "[ . 1 . 2]" 1
633 1 66 LEU HA 1 67 ARG H 2.900 . 2.900 2.245 2.168 2.463 . 0 0 "[ . 1 . 2]" 1
634 1 66 LEU QB 1 67 ARG H 5.000 . 6.000 2.757 2.380 2.957 . 0 0 "[ . 1 . 2]" 1
635 1 66 LEU QD 1 67 ARG H 5.000 . 7.400 3.415 3.256 3.680 . 0 0 "[ . 1 . 2]" 1
636 1 66 LEU QD 1 105 ALA HA 3.500 . 5.900 3.735 3.539 3.918 . 0 0 "[ . 1 . 2]" 1
637 1 66 LEU QD 1 105 ALA MB 3.500 . 7.400 1.794 1.651 2.022 0.149 13 0 "[ . 1 . 2]" 1
638 1 66 LEU QD 1 106 ALA H 2.900 . 5.300 3.592 2.978 3.938 . 0 0 "[ . 1 . 2]" 1
639 1 67 ARG H 1 67 ARG QB 3.500 . 4.100 2.503 2.286 2.599 . 0 0 "[ . 1 . 2]" 1
640 1 67 ARG H 1 67 ARG QD 5.000 . 6.000 3.739 2.909 4.547 . 0 0 "[ . 1 . 2]" 1
641 1 67 ARG H 1 67 ARG QG 3.500 . 4.500 2.936 2.581 4.010 . 0 0 "[ . 1 . 2]" 1
642 1 67 ARG H 1 68 SER H 5.000 . 5.000 2.363 2.235 2.521 . 0 0 "[ . 1 . 2]" 1
643 1 67 ARG HA 1 68 SER H 2.900 . 2.900 3.099 3.076 3.123 0.223 15 0 "[ . 1 . 2]" 1
644 1 67 ARG QB 1 68 SER H 5.000 . 6.000 3.656 3.628 3.673 . 0 0 "[ . 1 . 2]" 1
645 1 67 ARG QG 1 68 SER H 5.000 . 6.000 4.580 4.401 4.934 . 0 0 "[ . 1 . 2]" 1
646 1 68 SER H 1 99 VAL QG 5.000 . 7.400 4.724 3.823 5.100 . 0 0 "[ . 1 . 2]" 1
647 1 68 SER QB 1 102 SER H 5.000 . 6.000 3.287 2.377 4.688 . 0 0 "[ . 1 . 2]" 1
648 1 68 SER QB 1 105 ALA MB 3.500 . 6.000 2.742 1.950 4.374 . 0 0 "[ . 1 . 2]" 1
649 1 69 VAL HA 1 70 GLY H 2.900 . 2.900 2.455 2.287 2.550 . 0 0 "[ . 1 . 2]" 1
650 1 69 VAL HA 1 99 VAL QG 3.500 . 5.900 3.002 2.751 3.194 . 0 0 "[ . 1 . 2]" 1
651 1 69 VAL HA 1 101 GLY H 3.500 . 3.500 3.600 3.546 3.714 0.214 7 0 "[ . 1 . 2]" 1
652 1 69 VAL HA 1 102 SER H 5.000 . 5.000 4.469 3.719 5.119 0.119 12 0 "[ . 1 . 2]" 1
653 1 69 VAL HB 1 70 GLY H 3.500 . 3.500 2.793 2.199 3.856 0.356 20 0 "[ . 1 . 2]" 1
654 1 69 VAL QG 1 70 GLY H 5.000 . 7.400 2.675 1.722 3.146 0.078 4 0 "[ . 1 . 2]" 1
655 1 69 VAL QG 1 99 VAL HB 3.500 . 5.900 3.212 2.217 3.838 . 0 0 "[ . 1 . 2]" 1
656 1 69 VAL QG 1 99 VAL QG 2.700 . 7.500 2.290 1.695 2.721 0.105 2 0 "[ . 1 . 2]" 1
657 1 69 VAL QG 1 101 GLY H 5.000 . 7.400 4.329 2.891 4.886 . 0 0 "[ . 1 . 2]" 1
658 1 69 VAL QG 1 101 GLY QA 5.000 . 8.400 3.837 3.212 4.505 . 0 0 "[ . 1 . 2]" 1
659 1 70 GLY H 1 71 ASP H 5.000 . 5.000 4.558 4.443 4.631 . 0 0 "[ . 1 . 2]" 1
660 1 70 GLY H 1 73 GLU QG 5.000 . 6.000 3.962 3.224 4.421 . 0 0 "[ . 1 . 2]" 1
661 1 70 GLY H 1 101 GLY H 5.000 . 5.000 3.116 2.620 3.823 . 0 0 "[ . 1 . 2]" 1
662 1 70 GLY QA 1 71 ASP H 2.900 . 3.900 2.130 2.100 2.159 . 0 0 "[ . 1 . 2]" 1
663 1 70 GLY QA 1 102 SER H 5.000 . 6.000 4.040 3.690 4.602 . 0 0 "[ . 1 . 2]" 1
664 1 71 ASP H 1 71 ASP HA 2.900 . 2.900 2.911 2.889 2.918 0.018 11 0 "[ . 1 . 2]" 1
665 1 71 ASP H 1 71 ASP QB 2.900 . 3.500 2.491 2.308 2.801 . 0 0 "[ . 1 . 2]" 1
666 1 71 ASP H 1 72 GLY H 5.000 . 5.000 4.582 4.456 4.646 . 0 0 "[ . 1 . 2]" 1
667 1 71 ASP H 1 102 SER HA 3.500 . 3.500 3.523 3.189 3.624 0.124 16 0 "[ . 1 . 2]" 1
668 1 71 ASP HA 1 72 GLY H 2.900 . 2.900 2.219 2.175 2.316 . 0 0 "[ . 1 . 2]" 1
669 1 71 ASP HA 1 73 GLU H 3.500 . 3.500 3.174 2.976 3.356 . 0 0 "[ . 1 . 2]" 1
670 1 71 ASP QB 1 72 GLY H 3.500 . 4.500 3.228 2.634 3.911 . 0 0 "[ . 1 . 2]" 1
671 1 72 GLY H 1 73 GLU H 2.900 . 2.900 2.440 2.288 2.515 . 0 0 "[ . 1 . 2]" 1
672 1 72 GLY QA 1 73 GLU H 3.500 . 4.500 2.972 2.956 2.982 . 0 0 "[ . 1 . 2]" 1
673 1 73 GLU H 1 73 GLU HA 2.900 . 2.900 2.950 2.914 2.959 0.059 13 0 "[ . 1 . 2]" 1
674 1 73 GLU H 1 73 GLU QB 2.900 . 3.500 2.429 2.275 2.503 . 0 0 "[ . 1 . 2]" 1
675 1 73 GLU H 1 73 GLU QG 2.900 . 3.900 2.893 2.659 4.019 0.119 18 0 "[ . 1 . 2]" 1
676 1 73 GLU H 1 74 THR H 5.000 . 5.000 4.585 4.565 4.620 . 0 0 "[ . 1 . 2]" 1
677 1 73 GLU H 1 75 VAL QG 5.000 . 7.400 4.486 4.336 4.655 . 0 0 "[ . 1 . 2]" 1
678 1 73 GLU HA 1 74 THR H 2.900 . 2.900 2.285 2.192 2.376 . 0 0 "[ . 1 . 2]" 1
679 1 73 GLU QB 1 74 THR H 2.900 . 3.900 2.634 2.283 3.638 . 0 0 "[ . 1 . 2]" 1
680 1 73 GLU QB 1 75 VAL QG 5.000 . 8.400 2.738 2.514 2.986 . 0 0 "[ . 1 . 2]" 1
681 1 73 GLU QG 1 74 THR H 3.500 . 4.500 3.785 2.422 4.191 . 0 0 "[ . 1 . 2]" 1
682 1 73 GLU QG 1 75 VAL QG 3.500 . 6.900 4.146 2.493 4.431 . 0 0 "[ . 1 . 2]" 1
683 1 74 THR H 1 74 THR HA 2.900 . 2.900 2.968 2.949 2.981 0.081 20 0 "[ . 1 . 2]" 1
684 1 74 THR H 1 74 THR HB 2.900 . 2.900 2.535 2.515 2.561 . 0 0 "[ . 1 . 2]" 1
685 1 74 THR H 1 74 THR MG 2.900 . 4.400 3.812 3.802 3.824 . 0 0 "[ . 1 . 2]" 1
686 1 74 THR H 1 75 VAL QG 5.000 . 7.400 3.860 3.764 4.029 . 0 0 "[ . 1 . 2]" 1
687 1 74 THR HA 1 75 VAL H 2.900 . 2.900 2.185 2.168 2.199 . 0 0 "[ . 1 . 2]" 1
688 1 74 THR HA 1 75 VAL QG 5.000 . 7.400 3.233 3.208 3.257 . 0 0 "[ . 1 . 2]" 1
689 1 74 THR HB 1 75 VAL H 5.000 . 5.000 4.174 4.152 4.193 . 0 0 "[ . 1 . 2]" 1
690 1 74 THR MG 1 75 VAL H 2.900 . 4.400 2.623 2.569 2.664 . 0 0 "[ . 1 . 2]" 1
691 1 74 THR MG 1 94 PRO QB 5.000 . 7.500 3.879 3.588 4.558 . 0 0 "[ . 1 . 2]" 1
692 1 74 THR MG 1 94 PRO QD 5.000 . 7.500 4.050 3.650 4.422 . 0 0 "[ . 1 . 2]" 1
693 1 74 THR MG 1 94 PRO QG 3.500 . 6.000 3.875 3.064 4.058 . 0 0 "[ . 1 . 2]" 1
694 1 75 VAL H 1 75 VAL QG 2.900 . 4.600 2.038 2.000 2.062 . 0 0 "[ . 1 . 2]" 1
695 1 75 VAL HA 1 76 GLU H 2.900 . 2.900 2.389 2.347 2.434 . 0 0 "[ . 1 . 2]" 1
696 1 75 VAL HB 1 76 GLU H 2.900 . 2.900 2.396 2.335 2.427 . 0 0 "[ . 1 . 2]" 1
697 1 75 VAL HB 1 92 THR H 5.000 . 5.000 3.581 3.435 3.749 . 0 0 "[ . 1 . 2]" 1
698 1 75 VAL QG 1 76 GLU H 2.900 . 5.300 3.160 3.128 3.172 . 0 0 "[ . 1 . 2]" 1
699 1 75 VAL QG 1 77 PHE QD 2.700 . 7.100 2.001 1.800 2.205 . 4 0 "[ . 1 . 2]" 1
700 1 75 VAL QG 1 77 PHE QE 3.500 . 7.900 2.769 2.511 3.147 . 0 0 "[ . 1 . 2]" 1
701 1 76 GLU H 1 76 GLU QB 3.500 . 4.100 2.535 2.417 2.809 . 0 0 "[ . 1 . 2]" 1
702 1 76 GLU H 1 77 PHE H 5.000 . 5.000 4.478 4.437 4.524 . 0 0 "[ . 1 . 2]" 1
703 1 76 GLU H 1 77 PHE QD 5.000 . 7.000 4.184 4.083 4.349 . 0 0 "[ . 1 . 2]" 1
704 1 76 GLU H 1 91 VAL HA 5.000 . 5.000 4.753 4.637 4.925 . 0 0 "[ . 1 . 2]" 1
705 1 76 GLU H 1 91 VAL QG 3.500 . 5.900 3.805 3.657 4.004 . 0 0 "[ . 1 . 2]" 1
706 1 76 GLU H 1 92 THR H 3.500 . 3.500 3.254 3.152 3.429 . 0 0 "[ . 1 . 2]" 1
707 1 76 GLU H 1 93 GLY QA 5.000 . 6.000 3.003 2.815 3.186 . 0 0 "[ . 1 . 2]" 1
708 1 76 GLU H 1 94 PRO HA 5.000 . 5.000 4.233 3.868 4.489 . 0 0 "[ . 1 . 2]" 1
709 1 76 GLU HA 1 77 PHE H 2.900 . 2.900 2.244 2.214 2.291 . 0 0 "[ . 1 . 2]" 1
710 1 76 GLU QB 1 77 PHE H 3.500 . 4.500 3.549 2.970 3.813 . 0 0 "[ . 1 . 2]" 1
711 1 76 GLU QB 1 95 GLY H 3.500 . 4.500 3.960 3.814 4.044 . 0 0 "[ . 1 . 2]" 1
712 1 76 GLU QG 1 77 PHE H 3.500 . 4.500 3.050 2.725 3.694 . 0 0 "[ . 1 . 2]" 1
713 1 76 GLU QG 1 95 GLY H 5.000 . 6.000 5.014 4.114 5.405 . 0 0 "[ . 1 . 2]" 1
714 1 77 PHE H 1 77 PHE HA 2.900 . 2.900 2.927 2.915 2.939 0.039 8 0 "[ . 1 . 2]" 1
715 1 77 PHE H 1 77 PHE QB 3.500 . 4.100 3.315 3.276 3.352 . 0 0 "[ . 1 . 2]" 1
716 1 77 PHE H 1 77 PHE QD 2.900 . 4.900 3.118 2.995 3.278 . 0 0 "[ . 1 . 2]" 1
717 1 77 PHE H 1 77 PHE QE 5.000 . 7.000 4.427 4.363 4.501 . 0 0 "[ . 1 . 2]" 1
718 1 77 PHE HA 1 78 ASP H 2.900 . 2.900 2.353 2.341 2.382 . 0 0 "[ . 1 . 2]" 1
719 1 77 PHE HA 1 91 VAL QG 5.000 . 7.400 3.607 3.555 3.644 . 0 0 "[ . 1 . 2]" 1
720 1 77 PHE HA 1 92 THR H 3.500 . 3.500 3.487 3.418 3.561 0.061 7 0 "[ . 1 . 2]" 1
721 1 77 PHE QB 1 78 ASP H 2.900 . 3.900 2.390 2.359 2.457 . 0 0 "[ . 1 . 2]" 1
722 1 77 PHE QB 1 89 ALA H 3.500 . 4.500 2.842 2.727 2.902 . 0 0 "[ . 1 . 2]" 1
723 1 77 PHE QB 1 91 VAL QG 2.700 . 6.100 1.893 1.834 1.944 . 0 0 "[ . 1 . 2]" 1
724 1 77 PHE QB 1 92 THR H 3.500 . 4.500 3.341 3.264 3.467 . 0 0 "[ . 1 . 2]" 1
725 1 77 PHE QD 1 78 ASP H 3.500 . 5.500 3.467 3.427 3.530 . 0 0 "[ . 1 . 2]" 1
726 1 77 PHE QD 1 79 VAL QG 3.500 . 7.900 2.671 2.575 2.883 . 0 0 "[ . 1 . 2]" 1
727 1 77 PHE QD 1 88 ALA MB 3.500 . 7.000 2.526 2.223 2.583 . 0 0 "[ . 1 . 2]" 1
728 1 77 PHE QD 1 89 ALA H 3.500 . 5.500 3.046 2.922 3.319 . 0 0 "[ . 1 . 2]" 1
729 1 77 PHE QD 1 91 VAL QG 5.000 . 9.400 2.861 2.665 3.032 . 0 0 "[ . 1 . 2]" 1
730 1 77 PHE QE 1 78 ASP H 5.000 . 7.000 5.652 5.609 5.736 . 0 0 "[ . 1 . 2]" 1
731 1 77 PHE QE 1 79 VAL QG 2.700 . 7.100 2.002 1.882 2.135 . 0 0 "[ . 1 . 2]" 1
732 1 77 PHE HZ 1 79 VAL QG 5.000 . 7.400 3.852 3.687 4.020 . 0 0 "[ . 1 . 2]" 1
733 1 78 ASP H 1 78 ASP QB 2.900 . 3.500 2.552 2.408 3.067 . 0 0 "[ . 1 . 2]" 1
734 1 78 ASP H 1 79 VAL H 5.000 . 5.000 4.583 4.560 4.597 . 0 0 "[ . 1 . 2]" 1
735 1 78 ASP H 1 88 ALA MB 5.000 . 6.500 4.416 4.269 4.502 . 0 0 "[ . 1 . 2]" 1
736 1 78 ASP H 1 89 ALA H 2.900 . 2.900 3.017 2.980 3.085 0.185 10 0 "[ . 1 . 2]" 1
737 1 78 ASP H 1 89 ALA MB 3.500 . 5.000 3.962 3.866 4.050 . 0 0 "[ . 1 . 2]" 1
738 1 78 ASP H 1 91 VAL QG 3.500 . 5.900 4.078 4.025 4.135 . 0 0 "[ . 1 . 2]" 1
739 1 78 ASP HA 1 79 VAL H 2.900 . 2.900 2.354 2.322 2.438 . 0 0 "[ . 1 . 2]" 1
740 1 78 ASP HA 1 79 VAL QG 5.000 . 7.400 3.318 3.212 3.379 . 0 0 "[ . 1 . 2]" 1
741 1 78 ASP HA 1 80 VAL QG 5.000 . 7.400 4.799 4.662 5.061 . 0 0 "[ . 1 . 2]" 1
742 1 78 ASP QB 1 79 VAL H 2.900 . 3.900 2.630 2.394 2.715 . 0 0 "[ . 1 . 2]" 1
743 1 78 ASP QB 1 80 VAL QG 3.500 . 6.900 2.938 2.795 3.328 . 0 0 "[ . 1 . 2]" 1
744 1 78 ASP QB 1 89 ALA H 5.000 . 6.000 3.525 3.345 4.559 . 0 0 "[ . 1 . 2]" 1
745 1 78 ASP QB 1 89 ALA MB 3.500 . 6.000 2.839 2.546 4.135 . 0 0 "[ . 1 . 2]" 1
746 1 79 VAL H 1 79 VAL HB 2.900 . 2.900 2.641 2.606 2.669 . 0 0 "[ . 1 . 2]" 1
747 1 79 VAL H 1 79 VAL QG 2.900 . 4.600 2.527 2.448 2.569 . 0 0 "[ . 1 . 2]" 1
748 1 79 VAL H 1 80 VAL H 5.000 . 5.000 4.354 4.337 4.389 . 0 0 "[ . 1 . 2]" 1
749 1 79 VAL HA 1 80 VAL H 2.900 . 2.900 2.163 2.152 2.176 . 0 0 "[ . 1 . 2]" 1
750 1 79 VAL HA 1 89 ALA H 3.500 . 3.500 3.541 3.502 3.589 0.089 8 0 "[ . 1 . 2]" 1
751 1 79 VAL HB 1 80 VAL H 5.000 . 5.000 4.178 4.158 4.195 . 0 0 "[ . 1 . 2]" 1
752 1 79 VAL QG 1 80 VAL H 2.900 . 5.300 2.442 2.406 2.472 . 0 0 "[ . 1 . 2]" 1
753 1 79 VAL QG 1 86 ALA MB 2.700 . 6.600 2.109 2.005 2.215 . 0 0 "[ . 1 . 2]" 1
754 1 79 VAL QG 1 87 GLU H 2.900 . 5.300 2.988 2.811 3.094 . 0 0 "[ . 1 . 2]" 1
755 1 79 VAL QG 1 89 ALA H 5.000 . 7.400 4.227 4.176 4.341 . 0 0 "[ . 1 . 2]" 1
756 1 80 VAL H 1 80 VAL HB 3.500 . 3.500 3.809 3.780 3.821 0.321 15 0 "[ . 1 . 2]" 1
757 1 80 VAL H 1 80 VAL QG 2.900 . 4.600 2.046 1.985 2.109 . 0 0 "[ . 1 . 2]" 1
758 1 80 VAL H 1 81 GLU H 5.000 . 5.000 4.470 4.453 4.482 . 0 0 "[ . 1 . 2]" 1
759 1 80 VAL H 1 86 ALA HA 5.000 . 5.000 4.694 4.570 4.913 . 0 0 "[ . 1 . 2]" 1
760 1 80 VAL H 1 87 GLU QB 5.000 . 6.000 3.878 3.696 4.864 . 0 0 "[ . 1 . 2]" 1
761 1 80 VAL H 1 87 GLU QG 5.000 . 6.000 4.526 3.224 4.706 . 0 0 "[ . 1 . 2]" 1
762 1 80 VAL H 1 88 ALA HA 3.500 . 3.500 3.444 3.258 3.487 . 0 0 "[ . 1 . 2]" 1
763 1 80 VAL HA 1 81 GLU H 2.900 . 2.900 2.423 2.367 2.483 . 0 0 "[ . 1 . 2]" 1
764 1 80 VAL HB 1 81 GLU H 2.900 . 2.900 2.495 2.411 2.596 . 0 0 "[ . 1 . 2]" 1
765 1 80 VAL QG 1 81 GLU H 2.900 . 5.300 3.176 3.126 3.224 . 0 0 "[ . 1 . 2]" 1
766 1 80 VAL QG 1 81 GLU QB 3.500 . 6.900 4.236 4.127 4.296 . 0 0 "[ . 1 . 2]" 1
767 1 80 VAL QG 1 82 GLY H 5.000 . 7.400 4.551 4.337 4.669 . 0 0 "[ . 1 . 2]" 1
768 1 80 VAL QG 1 87 GLU H 2.900 . 5.300 3.217 3.147 3.411 . 0 0 "[ . 1 . 2]" 1
769 1 80 VAL QG 1 87 GLU QG 2.700 . 6.100 3.164 1.994 3.329 . 0 0 "[ . 1 . 2]" 1
770 1 80 VAL QG 1 89 ALA H 5.000 . 7.400 3.705 3.567 3.842 . 0 0 "[ . 1 . 2]" 1
771 1 80 VAL QG 1 89 ALA MB 2.700 . 6.600 2.228 2.082 2.370 . 0 0 "[ . 1 . 2]" 1
772 1 81 GLU H 1 81 GLU QG 2.900 . 3.900 3.239 2.624 4.004 0.104 1 0 "[ . 1 . 2]" 1
773 1 81 GLU H 1 82 GLY H 5.000 . 5.000 4.626 4.586 4.650 . 0 0 "[ . 1 . 2]" 1
774 1 81 GLU HA 1 82 GLY H 2.900 . 2.900 2.200 2.171 2.232 . 0 0 "[ . 1 . 2]" 1
775 1 81 GLU HA 1 86 ALA MB 5.000 . 6.500 4.150 3.936 4.322 . 0 0 "[ . 1 . 2]" 1
776 1 81 GLU HA 1 87 GLU H 3.500 . 3.500 3.432 3.307 3.584 0.084 3 0 "[ . 1 . 2]" 1
777 1 81 GLU QB 1 82 GLY H 3.500 . 4.500 3.139 2.723 3.735 . 0 0 "[ . 1 . 2]" 1
778 1 81 GLU QG 1 82 GLY H 2.900 . 3.900 3.207 2.568 3.632 . 0 0 "[ . 1 . 2]" 1
779 1 82 GLY H 1 85 GLY H 3.500 . 3.500 3.273 3.109 3.328 . 0 0 "[ . 1 . 2]" 1
780 1 82 GLY H 1 86 ALA HA 2.900 . 2.900 2.887 2.318 2.982 0.082 13 0 "[ . 1 . 2]" 1
781 1 82 GLY H 1 86 ALA MB 5.000 . 6.500 4.446 4.014 4.525 . 0 0 "[ . 1 . 2]" 1
782 1 82 GLY H 1 87 GLU H 3.500 . 3.500 3.560 3.394 3.642 0.142 16 0 "[ . 1 . 2]" 1
783 1 82 GLY QA 1 87 GLU H 5.000 . 6.000 3.624 3.485 3.806 . 0 0 "[ . 1 . 2]" 1
784 1 83 GLU HA 1 84 LYS H 5.000 . 5.000 3.529 3.459 3.620 . 0 0 "[ . 1 . 2]" 1
785 1 83 GLU HA 1 85 GLY H 5.000 . 5.000 3.475 3.335 4.552 . 0 0 "[ . 1 . 2]" 1
786 1 83 GLU QB 1 84 LYS H 3.500 . 4.500 3.018 2.540 3.765 . 0 0 "[ . 1 . 2]" 1
787 1 83 GLU QG 1 84 LYS H 5.000 . 6.000 3.957 2.698 4.608 . 0 0 "[ . 1 . 2]" 1
788 1 83 GLU QG 1 85 GLY H 5.000 . 6.000 5.006 4.366 5.375 . 0 0 "[ . 1 . 2]" 1
789 1 84 LYS H 1 84 LYS QB 3.500 . 4.100 2.521 2.454 2.750 . 0 0 "[ . 1 . 2]" 1
790 1 84 LYS H 1 84 LYS QG 3.500 . 4.500 2.548 2.404 3.302 . 0 0 "[ . 1 . 2]" 1
791 1 84 LYS H 1 85 GLY H 2.900 . 2.900 2.455 2.285 2.580 . 0 0 "[ . 1 . 2]" 1
792 1 84 LYS HA 1 85 GLY H 2.900 . 2.900 3.179 2.971 3.243 0.343 17 0 "[ . 1 . 2]" 1
793 1 84 LYS QB 1 85 GLY H 5.000 . 6.000 3.573 3.493 3.846 . 0 0 "[ . 1 . 2]" 1
794 1 85 GLY H 1 86 ALA H 3.500 . 3.500 3.630 3.562 4.012 0.512 7 1 "[ . + 1 . 2]" 1
795 1 85 GLY QA 1 86 ALA H 2.900 . 3.900 2.385 2.105 2.440 . 0 0 "[ . 1 . 2]" 1
796 1 85 GLY QA 1 86 ALA MB 5.000 . 7.500 3.774 3.729 3.796 . 0 0 "[ . 1 . 2]" 1
797 1 86 ALA H 1 86 ALA HA 2.900 . 2.900 2.986 2.984 2.988 0.088 1 0 "[ . 1 . 2]" 1
798 1 86 ALA H 1 86 ALA MB 2.900 . 4.000 2.503 2.423 2.532 . 0 0 "[ . 1 . 2]" 1
799 1 86 ALA H 1 87 GLU H 5.000 . 5.000 4.391 4.367 4.454 . 0 0 "[ . 1 . 2]" 1
800 1 86 ALA HA 1 87 GLU H 2.900 . 2.900 2.177 2.159 2.256 . 0 0 "[ . 1 . 2]" 1
801 1 86 ALA MB 1 87 GLU H 2.900 . 4.400 3.009 2.823 3.094 . 0 0 "[ . 1 . 2]" 1
802 1 87 GLU H 1 87 GLU HA 2.900 . 2.900 2.981 2.964 2.985 0.085 9 0 "[ . 1 . 2]" 1
803 1 87 GLU H 1 87 GLU QB 2.900 . 3.500 2.623 2.538 3.129 . 0 0 "[ . 1 . 2]" 1
804 1 87 GLU H 1 87 GLU QG 3.500 . 4.500 3.950 2.446 4.140 . 0 0 "[ . 1 . 2]" 1
805 1 87 GLU H 1 88 ALA H 5.000 . 5.000 4.378 4.353 4.417 . 0 0 "[ . 1 . 2]" 1
806 1 87 GLU HA 1 88 ALA H 2.900 . 2.900 2.195 2.168 2.325 . 0 0 "[ . 1 . 2]" 1
807 1 87 GLU QB 1 88 ALA H 2.900 . 3.900 3.560 2.582 3.683 . 0 0 "[ . 1 . 2]" 1
808 1 87 GLU QG 1 88 ALA H 3.500 . 4.500 2.661 2.510 3.549 . 0 0 "[ . 1 . 2]" 1
809 1 88 ALA H 1 88 ALA HA 2.900 . 2.900 2.930 2.923 2.942 0.042 16 0 "[ . 1 . 2]" 1
810 1 88 ALA H 1 88 ALA MB 2.900 . 4.000 2.285 2.272 2.306 . 0 0 "[ . 1 . 2]" 1
811 1 88 ALA HA 1 89 ALA H 2.900 . 2.900 2.281 2.255 2.315 . 0 0 "[ . 1 . 2]" 1
812 1 88 ALA HA 1 91 VAL QG 5.000 . 7.400 4.234 4.120 4.355 . 0 0 "[ . 1 . 2]" 1
813 1 88 ALA MB 1 89 ALA H 2.900 . 4.400 2.727 2.656 2.797 . 0 0 "[ . 1 . 2]" 1
814 1 88 ALA MB 1 91 VAL QG 2.700 . 6.600 2.245 2.122 2.366 . 0 0 "[ . 1 . 2]" 1
815 1 89 ALA H 1 89 ALA MB 2.900 . 4.000 2.699 2.678 2.718 . 0 0 "[ . 1 . 2]" 1
816 1 89 ALA H 1 90 ASN H 5.000 . 5.000 4.379 4.367 4.392 . 0 0 "[ . 1 . 2]" 1
817 1 89 ALA H 1 91 VAL QG 3.500 . 5.900 3.508 3.403 3.656 . 0 0 "[ . 1 . 2]" 1
818 1 89 ALA HA 1 90 ASN H 2.900 . 2.900 2.312 2.277 2.350 . 0 0 "[ . 1 . 2]" 1
819 1 89 ALA HA 1 91 VAL H 5.000 . 5.000 3.850 3.805 3.989 . 0 0 "[ . 1 . 2]" 1
820 1 89 ALA HA 1 91 VAL QG 5.000 . 7.400 3.243 3.145 3.355 . 0 0 "[ . 1 . 2]" 1
821 1 89 ALA MB 1 90 ASN H 2.900 . 4.400 2.611 2.563 2.655 . 0 0 "[ . 1 . 2]" 1
822 1 89 ALA MB 1 91 VAL QG 5.000 . 8.900 4.298 4.229 4.384 . 0 0 "[ . 1 . 2]" 1
823 1 90 ASN H 1 90 ASN HA 2.900 . 2.900 2.298 2.291 2.306 . 0 0 "[ . 1 . 2]" 1
824 1 90 ASN H 1 90 ASN QB 3.500 . 4.100 3.280 3.011 3.436 . 0 0 "[ . 1 . 2]" 1
825 1 90 ASN H 1 91 VAL H 2.900 . 2.900 2.812 2.756 2.886 . 0 0 "[ . 1 . 2]" 1
826 1 90 ASN H 1 91 VAL QG 3.500 . 5.900 3.659 3.607 3.692 . 0 0 "[ . 1 . 2]" 1
827 1 90 ASN HA 1 91 VAL H 2.900 . 2.900 2.655 2.603 2.675 . 0 0 "[ . 1 . 2]" 1
828 1 90 ASN HA 1 91 VAL QG 5.000 . 7.400 4.243 4.207 4.271 . 0 0 "[ . 1 . 2]" 1
829 1 91 VAL H 1 91 VAL HB 2.900 . 2.900 2.527 2.505 2.541 . 0 0 "[ . 1 . 2]" 1
830 1 91 VAL H 1 91 VAL QG 2.900 . 4.600 2.218 2.175 2.294 . 0 0 "[ . 1 . 2]" 1
831 1 91 VAL H 1 92 THR H 5.000 . 5.000 4.463 4.433 4.489 . 0 0 "[ . 1 . 2]" 1
832 1 91 VAL HA 1 91 VAL QG 2.700 . 4.400 2.090 2.086 2.093 . 0 0 "[ . 1 . 2]" 1
833 1 91 VAL HA 1 92 THR H 2.900 . 2.900 2.126 2.115 2.135 . 0 0 "[ . 1 . 2]" 1
834 1 91 VAL HB 1 92 THR H 5.000 . 5.000 4.258 4.236 4.278 . 0 0 "[ . 1 . 2]" 1
835 1 91 VAL QG 1 92 THR H 2.900 . 5.300 2.721 2.672 2.776 . 0 0 "[ . 1 . 2]" 1
836 1 92 THR H 1 92 THR MG 2.900 . 4.400 2.978 2.902 3.022 . 0 0 "[ . 1 . 2]" 1
837 1 92 THR HA 1 93 GLY H 2.900 . 2.900 2.494 2.472 2.546 . 0 0 "[ . 1 . 2]" 1
838 1 92 THR HA 1 99 VAL QG 2.700 . 5.100 2.791 2.342 3.552 . 0 0 "[ . 1 . 2]" 1
839 1 92 THR HB 1 93 GLY H 2.900 . 2.900 2.338 2.253 2.389 . 0 0 "[ . 1 . 2]" 1
840 1 92 THR HB 1 96 GLY H 5.000 . 5.000 4.363 4.151 4.475 . 0 0 "[ . 1 . 2]" 1
841 1 92 THR HB 1 97 VAL H 5.000 . 5.000 4.593 4.180 4.909 . 0 0 "[ . 1 . 2]" 1
842 1 92 THR MG 1 93 GLY H 3.500 . 5.000 3.730 3.693 3.774 . 0 0 "[ . 1 . 2]" 1
843 1 92 THR MG 1 96 GLY H 5.000 . 6.500 5.369 5.161 5.461 . 0 0 "[ . 1 . 2]" 1
844 1 92 THR MG 1 96 GLY QA 3.500 . 6.000 3.630 3.273 3.817 . 0 0 "[ . 1 . 2]" 1
845 1 93 GLY H 1 97 VAL H 5.000 . 5.000 4.170 3.911 4.337 . 0 0 "[ . 1 . 2]" 1
846 1 93 GLY H 1 97 VAL QG 3.500 . 5.900 3.541 3.159 4.499 . 0 0 "[ . 1 . 2]" 1
847 1 93 GLY H 1 98 PRO HA 5.000 . 5.000 3.535 3.268 4.020 . 0 0 "[ . 1 . 2]" 1
848 1 93 GLY H 1 99 VAL H 5.000 . 5.000 4.041 3.649 4.527 . 0 0 "[ . 1 . 2]" 1
849 1 93 GLY H 1 99 VAL HA 5.000 . 5.000 4.259 3.865 5.086 0.086 14 0 "[ . 1 . 2]" 1
850 1 93 GLY H 1 99 VAL QG 3.500 . 5.900 3.000 2.666 3.487 . 0 0 "[ . 1 . 2]" 1
851 1 93 GLY QA 1 97 VAL QG 3.500 . 6.900 2.486 2.176 3.774 . 0 0 "[ . 1 . 2]" 1
852 1 94 PRO HA 1 95 GLY H 2.900 . 2.900 2.187 2.157 2.202 . 0 0 "[ . 1 . 2]" 1
853 1 94 PRO HA 1 96 GLY H 3.500 . 3.500 3.141 3.079 3.231 . 0 0 "[ . 1 . 2]" 1
854 1 94 PRO QB 1 95 GLY H 3.500 . 4.500 3.266 3.212 3.401 . 0 0 "[ . 1 . 2]" 1
855 1 94 PRO QD 1 97 VAL QG 3.500 . 6.900 2.780 2.376 3.924 . 0 0 "[ . 1 . 2]" 1
856 1 94 PRO QG 1 95 GLY H 5.000 . 6.000 4.703 4.671 4.781 . 0 0 "[ . 1 . 2]" 1
857 1 95 GLY H 1 96 GLY H 2.900 . 2.900 2.430 2.396 2.470 . 0 0 "[ . 1 . 2]" 1
858 1 95 GLY H 1 97 VAL H 5.000 . 5.000 4.202 4.147 4.234 . 0 0 "[ . 1 . 2]" 1
859 1 95 GLY QA 1 97 VAL QG 5.000 . 8.400 2.818 2.752 2.870 . 0 0 "[ . 1 . 2]" 1
860 1 96 GLY H 1 97 VAL H 2.900 . 2.900 2.293 2.241 2.350 . 0 0 "[ . 1 . 2]" 1
861 1 96 GLY H 1 97 VAL QG 3.500 . 5.900 3.302 3.174 3.740 . 0 0 "[ . 1 . 2]" 1
862 1 96 GLY QA 1 97 VAL H 3.500 . 4.500 2.944 2.928 2.955 . 0 0 "[ . 1 . 2]" 1
863 1 97 VAL H 1 97 VAL HA 2.900 . 2.900 2.915 2.897 2.925 0.025 1 0 "[ . 1 . 2]" 1
864 1 97 VAL H 1 97 VAL HB 3.500 . 3.500 3.543 2.524 3.668 0.168 16 0 "[ . 1 . 2]" 1
865 1 97 VAL H 1 97 VAL QG 2.900 . 4.600 1.865 1.820 2.120 . 0 0 "[ . 1 . 2]" 1
866 1 97 VAL QG 1 98 PRO QD 3.500 . 6.900 2.756 2.035 2.852 . 0 0 "[ . 1 . 2]" 1
867 1 97 VAL QG 1 98 PRO QG 5.000 . 8.400 4.086 3.669 4.294 . 0 0 "[ . 1 . 2]" 1
868 1 98 PRO HA 1 99 VAL H 2.900 . 2.900 2.314 2.260 2.390 . 0 0 "[ . 1 . 2]" 1
869 1 98 PRO HA 1 99 VAL QG 3.500 . 5.900 3.390 3.332 3.486 . 0 0 "[ . 1 . 2]" 1
870 1 98 PRO QB 1 99 VAL H 3.500 . 4.500 2.911 2.718 3.041 . 0 0 "[ . 1 . 2]" 1
871 1 99 VAL H 1 99 VAL HA 2.900 . 2.900 2.903 2.873 2.940 0.040 16 0 "[ . 1 . 2]" 1
872 1 99 VAL H 1 99 VAL QG 2.900 . 4.600 1.808 1.674 1.896 0.126 18 0 "[ . 1 . 2]" 1
873 1 99 VAL H 1 100 GLN H 5.000 . 5.000 4.625 4.569 4.654 . 0 0 "[ . 1 . 2]" 1
874 1 99 VAL HA 1 100 GLN H 2.900 . 2.900 2.220 2.155 2.323 . 0 0 "[ . 1 . 2]" 1
875 1 99 VAL HA 1 101 GLY H 5.000 . 5.000 4.024 3.855 4.197 . 0 0 "[ . 1 . 2]" 1
876 1 99 VAL HB 1 100 GLN H 3.500 . 3.500 2.936 2.623 3.249 . 0 0 "[ . 1 . 2]" 1
877 1 99 VAL HB 1 101 GLY H 3.500 . 3.500 2.770 2.596 2.979 . 0 0 "[ . 1 . 2]" 1
878 1 99 VAL QG 1 100 GLN H 5.000 . 7.400 3.351 3.243 3.425 . 0 0 "[ . 1 . 2]" 1
879 1 99 VAL QG 1 101 GLY H 3.500 . 5.900 3.376 3.038 3.755 . 0 0 "[ . 1 . 2]" 1
880 1 99 VAL QG 1 101 GLY QA 5.000 . 8.400 3.241 2.837 3.714 . 0 0 "[ . 1 . 2]" 1
881 1 100 GLN H 1 100 GLN QB 3.500 . 4.100 2.373 2.307 2.503 . 0 0 "[ . 1 . 2]" 1
882 1 100 GLN H 1 100 GLN QG 3.500 . 4.500 3.373 2.301 4.128 . 0 0 "[ . 1 . 2]" 1
883 1 100 GLN H 1 101 GLY H 3.500 . 3.500 2.539 2.483 2.606 . 0 0 "[ . 1 . 2]" 1
884 1 100 GLN HA 1 101 GLY H 3.500 . 3.500 3.573 3.556 3.589 0.089 7 0 "[ . 1 . 2]" 1
885 1 100 GLN QB 1 101 GLY H 5.000 . 6.000 2.570 2.522 2.602 . 0 0 "[ . 1 . 2]" 1
886 1 100 GLN QG 1 101 GLY H 3.500 . 4.500 3.908 3.742 4.116 . 0 0 "[ . 1 . 2]" 1
887 1 101 GLY H 1 102 SER H 5.000 . 5.000 4.513 4.436 4.576 . 0 0 "[ . 1 . 2]" 1
888 1 101 GLY QA 1 102 SER H 3.500 . 4.500 2.303 2.254 2.325 . 0 0 "[ . 1 . 2]" 1
889 1 102 SER H 1 102 SER QB 2.900 . 3.500 2.463 2.322 2.658 . 0 0 "[ . 1 . 2]" 1
890 1 102 SER H 1 105 ALA MB 3.500 . 3.500 3.067 2.243 3.608 0.108 14 0 "[ . 1 . 2]" 1
891 1 102 SER QB 1 104 TYR H 5.000 . 6.000 2.740 2.475 3.424 . 0 0 "[ . 1 . 2]" 1
892 1 102 SER QB 1 105 ALA H 5.000 . 6.000 4.644 2.302 5.452 . 0 0 "[ . 1 . 2]" 1
893 1 102 SER QB 1 105 ALA MB 2.700 . 5.200 2.858 2.082 3.584 . 0 0 "[ . 1 . 2]" 1
894 1 103 LYS HA 1 104 TYR H 3.500 . 3.500 3.582 3.529 3.594 0.094 15 0 "[ . 1 . 2]" 1
895 1 103 LYS QB 1 104 TYR H 5.000 . 6.000 2.571 2.437 3.629 . 0 0 "[ . 1 . 2]" 1
896 1 104 TYR H 1 104 TYR QB 3.500 . 4.500 2.680 2.431 2.859 . 0 0 "[ . 1 . 2]" 1
897 1 104 TYR H 1 104 TYR QD 3.500 . 5.500 4.271 2.288 4.506 . 0 0 "[ . 1 . 2]" 1
898 1 104 TYR HA 1 105 ALA H 5.000 . 5.000 2.264 2.162 3.496 . 0 0 "[ . 1 . 2]" 1
899 1 104 TYR QB 1 105 ALA H 5.000 . 6.000 3.728 3.667 3.778 . 0 0 "[ . 1 . 2]" 1
900 1 104 TYR HH 1 105 ALA H 5.000 . 5.000 5.700 5.190 6.288 1.288 3 9 "[ +** 1- *.*** *]" 1
901 1 105 ALA H 1 105 ALA MB 2.900 . 3.900 2.663 2.257 2.725 . 0 0 "[ . 1 . 2]" 1
902 1 105 ALA H 1 106 ALA H 5.000 . 5.000 3.922 2.989 4.658 . 0 0 "[ . 1 . 2]" 1
903 1 105 ALA HA 1 106 ALA H 2.900 . 2.900 2.419 2.287 2.546 . 0 0 "[ . 1 . 2]" 1
904 1 106 ALA H 1 106 ALA HA 2.900 . 2.900 2.638 2.293 2.936 0.036 3 0 "[ . 1 . 2]" 1
905 1 106 ALA H 1 106 ALA MB 2.900 . 3.900 2.858 2.316 3.003 . 0 0 "[ . 1 . 2]" 1
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